(Click on the 'Details' column to view details on interfaces and similar patterns of amino acids)
Click on the 'View' column to view patterns on the structural viewer)
| PDB | Ligand | Drug | Indication | Macromolecule/ Organism |
Pfam | Binding_Interfaces (View) | Details |
|---|---|---|---|---|---|---|---|
| 1bcu | PRL | Proflavine (DB01123) | Proflavine is a topical antiseptic agent used in wound dressings to prevent infections. | ALPHA-THROMBIN (Hirudo medicinalis;homo sapiens) | Trypsin | ||
| 1d7o | TCL | Triclosan (DB08604) | Triclosan is an antimicrobial agent in clinical setting for disinfection, and prevention of spread and growth of bacteria, fungus, and mildew. | ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR (Brassica napus) | adh_short_C2 | ||
| 1e6y | COM | Coenzyme m (DB09110) | Coenzyme M is a uroprotective agent used for the reduction and prophylaxis of oxazaphosphorine-induced toxicity in the urinary tract. | METHYL-COENZYME M REDUCTASE I BETA SUBUNIT;METHYL-COENZYME M REDUCTASE SUBUNIT ALPHA;METHYL-COENZYME M REDUCTASE SUBUNIT GAMMA (Methanosarcina barkeri) | MCR_alphaMCR_alpha_NMCR_betaMCR_beta_NMCR_gamma | ||
| 1ei6 | PPF | Foscarnet (DB00529) | Foscarnet is an antiviral used to treat CMV, HIV, and HSV infections. | PHOSPHONOACETATE HYDROLASE (Pseudomonas fluorescens) | Phosphodiest | ||
| 1g0i | INS | Inositol (DB13178) | Inositol is an ingredient found in a variety of nutritional products. | INOSITOL MONOPHOSPHATASE (Methanocaldococcus jannaschii) | Inositol_P | ||
| 1i8o | NH3 | Ammonia (DB11118) | Ammonia is a naturally-occurring compound with a chemical formula NH3 and structure of trigonal pyramidal geometry. It is a colorless gas with a pungent smell, and become NH4, or ammonium... | CYTOCHROME C2 (Rhodopseudomonas palustris) | Cytochrom_C | ||
| 1iut | PAB | Aminobenzoic acid (DB02362) | Aminobenzoic acid is a drug used to reduce the progression of penile deviation in Peyronie's Disease in adults. | P-HYDROXYBENZOATE HYDROXYLASE (Pseudomonas aeruginosa) | FAD_binding_3 | ||
| 1lqp | FCN | Fosfomycin (DB00828) | Fosfomycin is a broad spectrum antibiotic used to treat uncomplicated urinary tract infections. | PROBABLE FOSFOMYCIN RESISTANCE PROTEIN (Pseudomonas aeruginosa) | Glyoxalase | ||
| 1meh | MOA | Mycophenolic acid (DB01024) | Mycophenolic acid is an immunosuppressant used to prevent organ transplant rejections. | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE (Tritrichomonas foetus) | CBSIMPDH | ||
| 1nki | PPF | Foscarnet (DB00529) | Foscarnet is an antiviral used to treat CMV, HIV, and HSV infections. | PROBABLE FOSFOMYCIN RESISTANCE PROTEIN (Pseudomonas aeruginosa) | Glyoxalase | ||
| 1oxr | AIN | Acetylsalicylic acid (DB00945) | Aspirin is a salicylate used to treat pain, fever, inflammation, migraines, and reducing the risk of major adverse cardiovascular events. | PHOSPHOLIPASE A2 ISOFORM 3 (Naja sagittifera) | Phospholip_A2_1 | ||
| 1p2y | NCT | Nicotine (DB00184) | Nicotine is a stimulatory alkaloid found in tobacco products that is often used for the relief of nicotine withdrawal symptoms and as an aid to smoking cessation. | CYTOCHROME P450-CAM (Pseudomonas putida) | p450 | ||
| 1pbf | BHA | Aminosalicylic acid (DB00233) | Aminosalicylic acid is an aminosalicylate drug used to induce remission in ulcerative colitis. | P-HYDROXYBENZOATE HYDROXYLASE (Pseudomonas fluorescens) | FAD_binding_3 | ||
| 1phg | MYT | Metyrapone (DB01011) | Metyrapone is a steroid 11-beta-monooxygenase inhibitor used to test hypothalamic-pituitary ACTH function. | CYTOCHROME P450-CAM (Pseudomonas putida) | p450 | ||
| 1s3t | BO3 | Boric acid (DB11326) | Boric acid, also known as hydrogen borate, is a weak monobasic Lewis acid of boron with the chemical formula H3BO3. Boric acid is typically utilized in industrial processing and manufacturing,... | UREASE ALPHA SUBUNIT (Sporosarcina pasteurii) | Amidohydro_1Urease_alpha | ||
| 1tuf | AZ1 | Azelaic acid (DB00548) | Azelaic acid is a saturated dicarboxylic acid used to treat mild to moderate acne vulgaris. | DIAMINOPIMELATE DECARBOXYLASE (Methanocaldococcus jannaschii) | Orn_Arg_deC_NOrn_DAP_Arg_deC | ||
| 1uv6 | CCE | Carbamoylcholine (DB00411) | Carbachol is a direct acting miotic agent administered ophthalmically to decrease intraocular pressure after cataract surgery, and to induce miosis during surgery. | ACETYLCHOLINE-BINDING PROTEIN (Lymnaea stagnalis) | Neur_chan_LBD | ||
| 1uw6 | NCT | Nicotine (DB00184) | Nicotine is a stimulatory alkaloid found in tobacco products that is often used for the relief of nicotine withdrawal symptoms and as an aid to smoking cessation. | ACETYLCHOLINE-BINDING PROTEIN (Lymnaea stagnalis) | Neur_chan_LBD | ||
| 1y7i | SAL | Salicylic acid (DB00936) | Salicylic acid is an acid used to treat acne, psoriasis, calluses, corns, keratosis pilaris, and warts. | SALICYLIC ACID-BINDING PROTEIN 2 (Nicotiana tabacum) | Abhydrolase_6 | ||
| 1zz1 | SHH | Vorinostat (DB02546) | Vorinostat is a histone deacetylase (HDAC) inhibitor used for the treatment of cutaneous manifestations in patients with progressive, persistent, or recurrent cutaneous T- cell lymphoma (CTCL) following prior systemic therapies. | HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE (Alcaligenaceae bacterium) | Hist_deacetyl | ||
| 2aib | ERG | Ergosterol (DB04038) | A steroid of interest both because its biosynthesis in FUNGI is a target of ANTIFUNGAL AGENTS, notably AZOLES, and because when it is present in SKIN of animals, ULTRAVIOLET RAYS... | BETA-ELICITIN CINNAMOMIN (Phytophthora cinnamomi) | Elicitin | ||
| 2jst | HLT | Halothane (DB01159) | Halothane is a general inhalation anesthetic used for the induction and maintenance of general anesthesia. | FOUR-ALPHA-HELIX BUNDLE (NA) | NA | ||
| 2jx4 | CCS | Carbocisteine (DB04339) | Carbocisteine is a expectorant mucolytic used in the relief of respiratory of COPD and other conditions associated with increased mucus viscosity. | VASOPRESSIN V2 RECEPTOR (NA) | NA | ||
| 2uxo | TAC | Tetracycline (DB00759) | Tetracycline is an antibiotic used to treat a wide variety of susceptible infections. | HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGR (Pseudomonas putida) | TetR_C_2TetR_N | ||
| 2uxp | CLM | Chloramphenicol (DB00446) | Chloramphenicol is a broad spectrum antibiotic that is effective against a variety of susceptible and serious bacterial infections but is not frequently used because of its high risk of bone marrow toxicity. | HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGR (Pseudomonas putida) | TetR_C_2TetR_N | ||
| 2wq5 | MIY | Minocycline (DB01017) | Minocycline is a tetracycline analog used to treat a wide variety of infections in the body. | PHOSPHOLIPASE A2, ACIDIC (Naja naja) | Phospholip_A2_1 | ||
| 2xat | CLM | Chloramphenicol (DB00446) | Chloramphenicol is a broad spectrum antibiotic that is effective against a variety of susceptible and serious bacterial infections but is not frequently used because of its high risk of bone marrow toxicity. | XENOBIOTIC ACETYLTRANSFERASE (Pseudomonas aeruginosa) | Hexapep | ||
| 3h5g | LEI | Penicillamine (DB00859) | Penicillamine is a chelator used to treat Wilson's disease, cystinuria, and rheumatoid arthritis. | COIL SER L16D-PEN (NA) | NA | ||
| 3h7c | 211 | Trolamine (DB13747) | Trolamine, which is also referred to as triethanolamine (TEA), is a tertiary amine and a triol. It is a bifunctional compound that exhibits both properties of alcohols and amines. Trolamine... | AGMATINE DEIMINASE (Arabidopsis thaliana) | PAD_porph | ||
| 3hf0 | 16A | Cetrimonium (DB01718) | Cetrimonium is a compound that can be used as a topical antiseptic. | GCN4-PLI SIDE CHAIN SEQUENCE ON AN (ALPHA-ALPHA-BETA-ALPHA-BETA-ALPHA-BETA) BACKBONE WITH CYCLIC BETA-RESIDUES (NA) | NA | ||
| 3lb3 | 4CH | Parachlorophenol (DB13154) | Parachlorophenol is an antibacterial agent used to prevent infections in root canals. | DEHALOPEROXIDASE A (Amphitrite ornata) | Globin | ||
| 3lps | NOV | Novobiocin (DB01051) | Novobiocin is an antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds,... | TOPOISOMERASE IV SUBUNIT B (Xanthomonas oryzae pv. oryzae) | DNA_gyraseBHATPase_c | ||
| 3lt5 | BLQ | Balsalazide (DB01014) | Balsalazide is an aminosalicylate used to treat ulcerative colitis. | FMN-DEPENDENT NADH-AZOREDUCTASE 1 (Pseudomonas aeruginosa) | Flavodoxin_2 | ||
| 3osh | OIN | Atropine (DB00572) | Atropine is a muscarinic antagonist used to treat poisoning by muscarinic agents, including organophosphates and other drugs. | PHOSPHOLIPASE A2 ISOFORM 3 (Naja sagittifera) | Phospholip_A2_1 | ||
| 3p9t | TCL | Triclosan (DB08604) | Triclosan is an antimicrobial agent in clinical setting for disinfection, and prevention of spread and growth of bacteria, fungus, and mildew. | REPRESSOR (Stenotrophomonas maltophilia) | TetR_C_2TetR_N | ||
| 3pbs | AZR | Aztreonam (DB00355) | Aztreonam is a beta-lactam antibiotic used to treat select aztreonam sensitive gram negative bacteria. | PENICILLIN-BINDING PROTEIN 3 (Pseudomonas aeruginosa) | PBP_dimerTranspeptidase | ||
| 3q2a | PAB | Aminobenzoic acid (DB02362) | Aminobenzoic acid is a drug used to reduce the progression of penile deviation in Peyronie's Disease in adults. | TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN A (Pseudomonas mendocina) | Phenol_Hydrox | ||
| 3q2a | PAB | Aminobenzoic acid (DB02362) | Aminobenzoic acid is a drug used to reduce the progression of penile deviation in Peyronie's Disease in adults. | TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN A;TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN E (Pseudomonas mendocina) | Phenol_Hydrox | ||
| 3r6w | NFZ | Nitrofural (DB00336) | Nitrofural is a topical antibacterial for the prevention and treatment of bacterial infections of the skin. | FMN-DEPENDENT NADH-AZOREDUCTASE 1 (Pseudomonas aeruginosa) | Flavodoxin_2 | ||
| 3ret | SAL | Salicylic acid (DB00936) | Salicylic acid is an acid used to treat acne, psoriasis, calluses, corns, keratosis pilaris, and warts. | SALICYLATE BIOSYNTHESIS PROTEIN PCHB (Pseudomonas aeruginosa) | CM_2 | ||
| 3u6t | KAN | Kanamycin (DB01172) | Kanamycin is an aminoglycoside antibiotic agent used in the treatment of various infections caused by susceptible bacteria. | RIBOSOME INACTIVATING PROTEIN (Momordica balsamina) | RIP | ||
| 3vm4 | IZP | Ibuprofen (DB01050) | Ibuprofen is an NSAID and non-selective COX inhibitor used to treat mild-moderate pain, fever, and inflammation. | FATTY ACID ALPHA-HYDROXYLASE (Sphingomonas paucimobilis) | p450 | ||
| 3wip | ACH | Acetylcholine (DB03128) | Acetylcholine is a parasympathomimetic neurotransmitter used to induce miosis of the iris in seconds after delivery of the lens in cataract surgery, in penetrating keratoplasty, iridectomy and other anterior segment surgery where rapid miosis may be required. | ACETYLCHOLINE-BINDING PROTEIN (Lymnaea stagnalis) | Neur_chan_LBD | ||
| 3wth | IM4 | Imidacloprid (DB11421) | Imidacloprid is a neonicotinoid, which is a class of neuro-active insecticides modeled after nicotine. Imidacloprid is a patented chemical, Imidacloprid is manufactured by Bayer Cropscience (part of Bayer AG) and... | ACETYLCHOLINE-BINDING PROTEIN (Lymnaea stagnalis) | Neur_chan_LBD | ||
| 4ay8 | COM | Coenzyme m (DB09110) | Coenzyme M is a uroprotective agent used for the reduction and prophylaxis of oxazaphosphorine-induced toxicity in the urinary tract. | METHYLCOBALAMIN: COENZYME M METHYLTRANSFERASE (Methanosarcina mazei) | URO-D | ||
| 4c1d | X8Z | Captopril (DB01197) | Captopril is an ACE inhibitor used for the management of essential or renovascular hypertension, congestive heart failure, left ventricular dysfunction following myocardial infarction, and nephropathy. | BETA-LACTAMASE CLASS B VIM-2 (Pseudomonas aeruginosa) | Lactamase_B | ||
| 4c94 | KXN | Cianidanol (DB14086) | An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. | FRA A 3 ALLERGEN (Fragaria x ananassa) | NA | ||
| 4c9i | KXN | Cianidanol (DB14086) | An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. | MAJOR STRAWBERRY ALLERGEN FRA A 1-E (Fragaria x ananassa) | NA | ||
| 4dfb | KAN | Kanamycin (DB01172) | Kanamycin is an aminoglycoside antibiotic agent used in the treatment of various infections caused by susceptible bacteria. | APH(2"")-ID (Enterococcus casseliflavus;streptomyces kanamyceticus) | APH | ||
| 4ebk | TOY | Tobramycin (DB00684) | Tobramycin is an aminoglycoside antibiotic used to treat cystic fibrosis-associated bacterial, lower respiratory tract, urinary tract, eye, skin, bone, and skin structure infections. | AMINOGLYCOSIDE NUCLEOTIDYLTRANSFERASE (Pseudomonas aeruginosa) | AadA_CNTP_transf_2 | ||
| 4eql | SAL | Salicylic acid (DB00936) | Salicylic acid is an acid used to treat acne, psoriasis, calluses, corns, keratosis pilaris, and warts. | 4-SUBSTITUTED BENZOATES-GLUTAMATE LIGASE GH3.12 (Arabidopsis thaliana) | GH3 | ||
| 4g24 | ACA | Aminocaproic acid (DB00513) | Aminocaproic acid is an antifibrinolytic agent used to induce clotting postoperatively. | PENTATRICOPEPTIDE REPEAT-CONTAINING PROTEIN AT2G32230, MITOCHONDRIAL (Arabidopsis thaliana) | PPR_longPRORP | ||
| 4h9m | HAE | Acetohydroxamic acid (DB00551) | Acetohydroxamic acid is a synthetic urea derivative used to treat urea splitting bacterial infections of the urinary tract. | UREASE (Canavalia ensiformis) | Amidohydro_1Urease_alphaUrease_betaUrease_gammaUrease_linker | ||
| 4i30 | ABU | Gamma-aminobutyric acid (DB02530) | The most common inhibitory neurotransmitter in the central nervous system. | CONCANAVALIN-A (Canavalia lineata) | Lectin_legB | ||
| 4kos | 4KO | Cefmetazole (DB00274) | Cefmetazole is a cephalosporin antibiotic used to treat a variety of bacterial infections. | UNCHARACTERIZED PROTEIN (Pseudomonas aeruginosa) | Acetyltransf_1 | ||
| 4kot | CE3 | Cefotaxime (DB00493) | Cefotaxime is a third generation cephalosporin used to treat susceptible Gram negative and Gram positive bacterial infections. | UNCHARACTERIZED PROTEIN (Pseudomonas aeruginosa) | Acetyltransf_1 | ||
| 4kou | C04 | Cefixime (DB00671) | Cefixime is a third generation cephalosporin used to treat susceptible Gram negative and Gram positive bacterial infections. | UNCHARACTERIZED PROTEIN (Pseudomonas aeruginosa) | Acetyltransf_1 | ||
| 4kyc | BO3 | Boric acid (DB11326) | Boric acid, also known as hydrogen borate, is a weak monobasic Lewis acid of boron with the chemical formula H3BO3. Boric acid is typically utilized in industrial processing and manufacturing,... | MALTOSE-BINDING PERIPLASMIC PROTEIN, PHOSPHOPROTEIN, CHIMERIC CONSTRUCT (Escherichia coli;menangle virus) | SBP_bac_1 | ||
| 4mda | RLT | Raltegravir (DB06817) | Raltegravir is an antiretroviral agent used for the treatment of HIV infections in conjunction with other antiretrovirals. | MARINER MOS1 TRANSPOSASE (Drosophila mauritiana) | Transposase_1 | ||
| 4nr0 | TCL | Triclosan (DB08604) | Triclosan is an antimicrobial agent in clinical setting for disinfection, and prevention of spread and growth of bacteria, fungus, and mildew. | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] FABI (Pseudomonas aeruginosa) | adh_short_C2 | ||
| 4o0o | URF | Fluorouracil (DB00544) | Fluorouracil is a pyrimidine analog used to treat basal cell carcinomas, and as an injection in palliative cancer treatment. | RRNA N-GLYCOSIDASE (Momordica balsamina) | RIP | ||
| 4oae | CLM | Chloramphenicol (DB00446) | Chloramphenicol is a broad spectrum antibiotic that is effective against a variety of susceptible and serious bacterial infections but is not frequently used because of its high risk of bone marrow toxicity. | GNAT SUPERFAMILY ACETYLTRANSFERASE PA4794 (Pseudomonas aeruginosa) | Acetyltransf_1 | ||
| 4qd3 | 5AE | Azacitidine (DB00928) | Azacitidine is a pyrimidine nucleoside analogue used to treat certain subtypes of myelodysplastic syndrome. | PEPTIDYL-TRNA HYDROLASE (Pseudomonas aeruginosa) | Pept_tRNA_hydro | ||
| 4qu3 | 1RG | Ertapenem (DB00303) | Ertapenem is a carbapenem antibiotic used for the treatment of moderate to severe bacterial infections caused by specific sensitive organisms. | BETA-LACTAMASE GES-2 (Pseudomonas aeruginosa) | Beta-lactamase2 | ||
| 4ubp | HAE | Acetohydroxamic acid (DB00551) | Acetohydroxamic acid is a synthetic urea derivative used to treat urea splitting bacterial infections of the urinary tract. | PROTEIN (UREASE (CHAIN C)) (Sporosarcina pasteurii) | Amidohydro_1Urease_alpha | ||
| 4umj | BFQ | Ibandronate (DB00710) | Ibandronate is a bisphosphonate used to treat osteoporosis in postmenopausal women. | GERANYLTRANSTRANSFERASE (Pseudomonas aeruginosa) | polyprenyl_synt | ||
| 4wg0 | CHD | Cholic acid (DB02659) | Cholic Acid is a bile acid used for the treatment of bile acid synthesis disorders due to single enzyme defects and as an adjunctive treatment of peroxisomal disorders with disrupted liver function. | NUCLEAR RECEPTOR COACTIVATOR 2 (NA) | NA | ||
| 4xiw | AZM | Acetazolamide (DB00819) | Acetazolamide is a carbonic anhydrase inhibitor used to treat edema from heart failure or medications, certain types of epilepsy, and glaucoma. | CARBONIC ANHYDRASE, ALPHA TYPE (Chlamydomonas reinhardtii) | Carb_anhydrase | ||
| 5cfs | TOY | Tobramycin (DB00684) | Tobramycin is an aminoglycoside antibiotic used to treat cystic fibrosis-associated bacterial, lower respiratory tract, urinary tract, eye, skin, bone, and skin structure infections. | AAD(2''),GENTAMICIN 2''-NUCLEOTIDYLTRANSFERASE,GENTAMICIN RESISTANCE PROTEIN (Pseudomonas aeruginosa) | Aminoglyc_resit | ||
| 5cix | 211 | Trolamine (DB13747) | Trolamine, which is also referred to as triethanolamine (TEA), is a tertiary amine and a triol. It is a bifunctional compound that exhibits both properties of alcohols and amines. Trolamine... | RIBOSOME INACTIVATING PROTEIN (Momordica balsamina) | RIP | ||
| 5evy | SAL | Salicylic acid (DB00936) | Salicylic acid is an acid used to treat acne, psoriasis, calluses, corns, keratosis pilaris, and warts. | SALICYLATE HYDROXYLASE (Pseudomonas putida) | FAD_binding_3 | ||
| 5fse | HQE | Hydroquinone (DB09526) | Hydroquinone is a topical brightening agent used for the treatment of skin disorders associated with hyperpigmentation including melasma, post-inflammatory hyperpigmentation, sunspots, and freckles. | UREASE SUBUNIT ALPHA (Sporosarcina pasteurii) | Amidohydro_1Urease_alpha | ||
| 5fyr | INS | Inositol (DB13178) | Inositol is an ingredient found in a variety of nutritional products. | PHOSPHOINOSITOL-SPECIFIC PHOSPHOLIPASE C (Pseudomonas sp.) | PI-PLC-C1 | ||
| 5ltv | ABU | Gamma-aminobutyric acid (DB02530) | The most common inhibitory neurotransmitter in the central nervous system. | CHEMOTACTIC TRANSDUCER PCTC (Pseudomonas aeruginosa) | dCache_1 | ||
| 5nvp | ACA | Aminocaproic acid (DB00513) | Aminocaproic acid is an antifibrinolytic agent used to induce clotting postoperatively. | ENVELOPE GLYCOPROTEIN,GP41 (NA) | NA | ||
| 5rf8 | SFY | Sulfapyridine (DB00891) | Sulfapyridine is a sulfonamide antibiotic used to treat dermatitis herpetiformis, benign mucous membrane pemphigoid and pyoderma gangrenosum. | 3C-LIKE PROTEINASE (Severe acute respiratory syndrome coronavirus 2) | NA | ||
| 5rsu | OHB | Salicylamide (DB08797) | Salicylamide is the common name for the substance o-hydroxybenzamide, or amide of salicyl. Salicylamide is a non-prescription drug with analgesic and antipyretic properties. It has similar medicinal uses to aspirin.... | NON-STRUCTURAL PROTEIN 3 (Severe acute respiratory syndrome coronavirus 2) | Macro | ||
| 5rtm | PZA | Pyrazinamide (DB00339) | Pyrazinamide is an antituberculosis agent used as a component of tuberculosis (TB) treatment. | NON-STRUCTURAL PROTEIN 3 (Severe acute respiratory syndrome coronavirus 2) | Macro | ||
| 5rue | BHA | Aminosalicylic acid (DB00233) | Aminosalicylic acid is an aminosalicylate drug used to induce remission in ulcerative colitis. | NON-STRUCTURAL PROTEIN 3 (Severe acute respiratory syndrome coronavirus 2) | Macro | ||
| 5rus | HSM | Histamine (DB05381) | Histamine is an ingredient of topical drugs for the relief of joint pain or muscle aches and pains. | NON-STRUCTURAL PROTEIN 3 (Severe acute respiratory syndrome coronavirus 2) | Macro | ||
| 5rvi | CLW | Chlorzoxazone (DB00356) | Chlorzoxazone is a drug with muscle relaxant properties that is used as an adjunct to physical therapy and analgesics to treat stiffness and pain caused by a variety of musculoskeletal conditions. | NON-STRUCTURAL PROTEIN 3 (Severe acute respiratory syndrome coronavirus 2) | Macro | ||
| 5s3i | W1P | Edaravone (DB12243) | Edaravone is a free radical scavenger used to delay the progression of ALS. | NON-STRUCTURAL PROTEIN 3 (Severe acute respiratory syndrome coronavirus 2) | Macro | ||
| 5s4a | 4AP | Dalfampridine (DB06637) | Dalfampridine is a potassium channel blocker used for the improvement of motor function in patients with multiple sclerosis (MS). | NON-STRUCTURAL PROTEIN 3 (Severe acute respiratory syndrome coronavirus 2) | Macro | ||
| 5tl8 | X2N | Posaconazole (DB01263) | Posaconazole is a triazole antifungal drug that is used to treat invasive infections by Candida species and Aspergillus species in severely immunocompromised patients. | PROTEIN CYP51 (Naegleria fowleri) | p450 | ||
| 5u6n | SAL | Salicylic acid (DB00936) | Salicylic acid is an acid used to treat acne, psoriasis, calluses, corns, keratosis pilaris, and warts. | UDP-GLYCOSYLTRANSFERASE 74F2 (Arabidopsis thaliana) | UDPGT | ||
| 5v3c | AMH | Tranexamic acid (DB00302) | Tranexamic acid is an antifibrinolytic used to reduce or prevent hemorrhagic episodes, especially in the context of hyperfibrinolytic disorders. | QUEUINE TRNA-RIBOSYLTRANSFERASE (Zymomonas mobilis) | TGT | ||
| 5wmk | BO3 | Boric acid (DB11326) | Boric acid, also known as hydrogen borate, is a weak monobasic Lewis acid of boron with the chemical formula H3BO3. Boric acid is typically utilized in industrial processing and manufacturing,... | BIFUNCTIONAL ASPARTATE AMINOTRANSFERASE AND GLUTAMATE/ASPARTATE-PREPHENATE AMINOTRANSFERASE (Arabidopsis thaliana) | Aminotran_1_2 | ||
| 5y0v | BER | Berberine (DB04115) | An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal... | BETA-HEXOSAMINIDASE (Ostrinia furnacalis) | Glyco_hydro_20Glycohydro_20b2 | ||
| 5z79 | PAB | Aminobenzoic acid (DB02362) | Aminobenzoic acid is a drug used to reduce the progression of penile deviation in Peyronie's Disease in adults. | HYDROXYMETHYLDIHYDROPTERIN PYROPHOSPHOKINASE-DIHYDROPTEROATE SYNTHASE, PUTATIVE (NA) | HPPKPterin_bind | ||
| 6ay4 | TPF | Fluconazole (DB00196) | Fluconazole is a triazole antifungal used to treat various fungal infections including candidiasis. | CYP51, STEROL 14ALPHA-DEMETHYLASE (Naegleria fowleri) | p450 | ||
| 6ay6 | VOR | Voriconazole (DB00582) | Voriconazole is a triazole compound used to treat fungal infections. | CYP51, STEROL 14ALPHA-DEMETHYLASE (Naegleria fowleri) | p450 | ||
| 6ayb | KKK | Ketoconazole (DB01026) | Ketoconazole is a broad spectrum antifungal used to treat seborrheic dermatitis and fungal skin infections. | CYP51, STEROL 14ALPHA-DEMETHYLASE (Naegleria fowleri) | p450 | ||
| 6ayc | 1YN | Itraconazole (DB01167) | Itraconazole is an antifungal agent used for the treatment of various fungal infections in immunocompromised and non-immunocompromised patients, such as pulmonary and extrapulmonary blastomycosis, histoplasmosis, and onychomycosis. | PROTEIN CYP51 (Naegleria fowleri) | p450 | ||
| 6bkk | 308 | Amantadine (DB00915) | Amantadine is a medication used to treat dyskinesia in Parkinson's patients receiving levodopa, as well as extrapyramidal side effects of medications. | MATRIX PROTEIN 2 (NA) | NA | ||
| 6bkl | RIM | Rimantadine (DB00478) | Rimantadine is an RNA synthesis inhibitor used to prevent influenza A infection. | MATRIX PROTEIN 2 (NA) | NA | ||
| 6ctz | KAN | Kanamycin (DB01172) | Kanamycin is an aminoglycoside antibiotic agent used in the treatment of various infections caused by susceptible bacteria. | GENTAMICIN RESISTANCE PROTEIN (Enterococcus gallinarum) | APH | ||
| 6cww | 211 | Trolamine (DB13747) | Trolamine, which is also referred to as triethanolamine (TEA), is a tertiary amine and a triol. It is a bifunctional compound that exhibits both properties of alcohols and amines. Trolamine... | METHYL-ACCEPTING CHEMOTAXIS PROTEIN (Caldanaerobacter subterraneus) | HNOB | ||
| 6day | PAB | Aminobenzoic acid (DB02362) | Aminobenzoic acid is a drug used to reduce the progression of penile deviation in Peyronie's Disease in adults. | DIHYDROPTEROATE SYNTHASE (Xanthomonas albilineans gpe pc73) | Pterin_bind | ||
| 6ebp | DAH | Levodopa (DB01235) | Levodopa is a dopamine precursor used in the management of Parkinson's disease, often in combination with carbidopa, as well as other conditions associated with parkinsonism. | RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE, BETA SUBUNIT (Aerococcus urinae (strain acs-120-v-col10a)) | Ribonuc_red_sm | ||
| 6fu4 | HSM | Histamine (DB05381) | Histamine is an ingredient of topical drugs for the relief of joint pain or muscle aches and pains. | PROBABLE CHEMOTAXIS TRANSDUCER (Pseudomonas aeruginosa pao1) | NA | ||
| 6g4e | ACA | Aminocaproic acid (DB00513) | Aminocaproic acid is an antifibrinolytic agent used to induce clotting postoperatively. | ASPARTATE AMINOTRANSFERASE FAMILY PROTEIN (Pseudomonas sp) | Aminotran_3 | ||
| 6icn | CFF | Caffeine (DB00201) | Caffeine is a stimulant present in tea, coffee, cola beverages, analgesic drugs, and agents used to increase alertness. It is also used in to prevent and treat pulmonary complications of premature birth. | METHYLXANTHINE N1-DEMETHYLASE NDMA (Pseudomonas putida) | RieskeVanA_C | ||
| 6ico | TEP | Theophylline (DB00277) | Theophylline is a xanthine used to manage the symptoms of asthma, COPD, and other lung conditions caused by reversible airflow obstruction. | METHYLXANTHINE N1-DEMETHYLASE NDMA (Pseudomonas putida) | RieskeVanA_C | ||
| 6im3 | AZM | Acetazolamide (DB00819) | Acetazolamide is a carbonic anhydrase inhibitor used to treat edema from heart failure or medications, certain types of epilepsy, and glaucoma. | CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (Persephonella marina (strain dsm 14350 / ex-h1)) | Carb_anhydrase | ||
| 6j2m | FK5 | Tacrolimus (DB00864) | Tacrolimus is a calcineurin inhibitor used to prevent organ transplant rejection and to treat moderate to severe atopic dermatitis. | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP53 (Arabidopsis thaliana) | FKBP_C | ||
| 6jqr | C6F | Gilteritinib (DB12141) | Gilteritinib is an AXL receptor tyrosine kinase inhibitor used to treat relapsed or refractory acute myeloid leukemia. | RECEPTOR-TYPE TYROSINE-PROTEIN KINASE FLT3 (NA) | PK_Tyr_Ser-Thr | ||
| 6k7s | D16 | Raltitrexed (DB00293) | Raltitrexed is a folate analog thymidylate synthase inhibitor used in the treatment of advanced colorectal cancer. | THYMIDYLATE SYNTHASE (Penaeus vannamei) | Thymidylat_synt | ||
| 6klk | URF | Fluorouracil (DB00544) | Fluorouracil is a pyrimidine analog used to treat basal cell carcinomas, and as an injection in palliative cancer treatment. | D-HYDANTOINASE/DIHYDROPYRIMIDINASE (Pseudomonas aeruginosa (strain atcc 15692 / dsm 22644 / cip 104116 / jcm 14847 / lmg 12228 / 1c / prs 101 / pao1)) | Amidohydro_1 | ||
| 6mb5 | NMY | Framycetin (DB00452) | Framycetin is an aminoglycoside antibiotic used in various formulations and combinations with other agents to treat hemorrhoids, eye and ear infections, and to reduce nasal carriage of staphylococcus. | AAC(3)-IIIB PROTEIN (Pseudomonas aeruginosa) | Antibiotic_NAT | ||
| 6mb7 | PAR | Paromomycin (DB01421) | Paromomycin is an aminoglycoside antibiotic used in the treatment of acute and chronic intestinal amebiasis, and as an adjunct for the management of hepatic coma. | AAC(3)-IIIB PROTEIN (Pseudomonas aeruginosa) | Antibiotic_NAT | ||
| 6mke | FK5 | Tacrolimus (DB00864) | Tacrolimus is a calcineurin inhibitor used to prevent organ transplant rejection and to treat moderate to severe atopic dermatitis. | PEPTIDYLPROLYL ISOMERASE (Naegleria fowleri) | FKBP_C | ||
| 6pub | CVI | Gentian violet cation (DB00406) | Gentian Violet is an antiseptic violet dye used to prevent various infections, including fungal and bacterial infections. | CHLORAMPHENICOL ACETYLTRANSFERASE (Vibrio cholerae serotype o1 (strain atcc 39315 / el tor inaba n16961)) | Hexapep | ||
| 6rzr | 8YF | Imipenem (DB01598) | Imipenem is a carbapenem antibiotic normally administered with cilastatin to treat a variety of infections. | BETA-LACTAMASE (Pseudomonas aeruginosa) | NA | ||
| 6s0s | RIO | Ribostamycin (DB03615) | Ribostamycin is a broad spectrum aminoglycoside antibiotic on the list of WHO critical antimicrobials for human medicine. | KANAMYCIN B DIOXYGENASE (Streptomyces kanamyceticus) | PhyH | ||
| 6s37 | SAL | Salicylic acid (DB00936) | Salicylic acid is an acid used to treat acne, psoriasis, calluses, corns, keratosis pilaris, and warts. | AROMATIC ACID CHEMORECEPTOR (Pseudomonas putida (strain atcc 47054 / dsm 6125 / ncimb 11950 / kt2440)) | HAMPMCPsignalTarH | ||
| 6sl5 | PQN | Phylloquinone (DB01022) | Vitamin K1 is a fat soluble vitamin used to treat hemorrhagic conditions in infants and coumarin overdoses. | PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A1 (Dunaliella salina) | PsaA_PsaB | ||
| 6sl5 | PQN | Phylloquinone (DB01022) | Vitamin K1 is a fat soluble vitamin used to treat hemorrhagic conditions in infants and coumarin overdoses. | PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A2 (Dunaliella salina) | PsaA_PsaB | ||
| 6u10 | X8Z | Captopril (DB01197) | Captopril is an ACE inhibitor used for the management of essential or renovascular hypertension, congestive heart failure, left ventricular dysfunction following myocardial infarction, and nephropathy. | PUTATIVE METALLO-BETA-LACTAMASE L1 (BETA-LACTAMASE TYPE II) (EC 3.5.2.6) (PENICILLINASE) (Stenotrophomonas maltophilia (strain k279a)) | Lactamase_B | ||
| 6un1 | TJ7 | Temocillin (DB12343) | Temocillin has been investigated in Infection, Liver Dysfunction, and Urinary Tract Infection. | PEPTIDOGLYCAN D,D-TRANSPEPTIDASE FTSI (Pseudomonas aeruginosa) | PBP_dimerTranspeptidase | ||
| 6un3 | XT8 | Ticarcillin (DB01607) | Ticarcillin is a beta lactam antibiotic used to treat a variety of infections in the body. | PEPTIDOGLYCAN D,D-TRANSPEPTIDASE FTSI (Pseudomonas aeruginosa) | PBP_dimerTranspeptidase | ||
| 6uyh | HFG | Halofuginone (DB04866) | Halofuginone is a low molecular weight quinazolinone alkaloid, and a potent inhibitor of collagen alpha1(I) and matrix metalloproteinase 2 (MMP-2) gene expression. Halofuginone also effectively suppresses tumor progression and metastasis... | PROLYL-TRNA SYNTHETASE (Naegleria fowleri) | HGTP_anticodonProRS-C_1tRNA-synt_2b | ||
| 6v1r | ACH | Acetylcholine (DB03128) | Acetylcholine is a parasympathomimetic neurotransmitter used to induce miosis of the iris in seconds after delivery of the lens in cataract surgery, in penetrating keratoplasty, iridectomy and other anterior segment surgery where rapid miosis may be required. | IACHSNFR FLUORESCENT ACETYLCHOLINE SENSOR V9 PRECURSOR BINDING PROTEIN (Thermoanaerobacter sp. x513) | NA | ||
| 6v61 | X8Z | Captopril (DB01197) | Captopril is an ACE inhibitor used for the management of essential or renovascular hypertension, congestive heart failure, left ventricular dysfunction following myocardial infarction, and nephropathy. | BETA-LACTAMASE (NA) | Lactamase_B | ||
| 6vje | RB6 | Ceftobiprole (DB04918) | Ceftobiprole is a cephalosporin antibiotic used to treat both community and hospital-acquired pneumonia caused by susceptible bacteria. | PEPTIDOGLYCAN D,D-TRANSPEPTIDASE FTSI (Pseudomonas aeruginosa) | PBP_dimerTranspeptidase | ||
| 6vta | AKN | Amikacin (DB00479) | Amikacin is an aminoglycoside used to treat infections caused by more resistant strains of Gram negative bacteria and some Gram positive bacteria. | AMINOGLYCOSIDE 2'-N-ACETYLTRANSFERASE (NA) | NA | ||
| 6wpg | SAL | Salicylic acid (DB00936) | Salicylic acid is an acid used to treat acne, psoriasis, calluses, corns, keratosis pilaris, and warts. | REGULATORY PROTEIN NPR4 (Arabidopsis thaliana) | NA | ||
| 6wxc | CMU | Tipiracil (DB09343) | Tipiracil is a thymidine phosphorylase inhibitor used as an adjunct treatment of adult patients with certain types of gastric or colorectal malignancies. | URIDYLATE-SPECIFIC ENDORIBONUCLEASE (Severe acute respiratory syndrome coronavirus 2) | CoV_NSP15_CCoV_NSP15_MCoV_NSP15_N | ||
| 6x10 | GMJ | Haloperidol (DB00502) | Haloperidol is an antipsychotic agent used to treat schizophrenia and other psychoses, as well as symptoms of agitation, irritability, and delirium. | N-ACETYLTRANSFERASE EIS (NA) | NA | ||
| 6x7q | CLM | Chloramphenicol (DB00446) | Chloramphenicol is a broad spectrum antibiotic that is effective against a variety of susceptible and serious bacterial infections but is not frequently used because of its high risk of bone marrow toxicity. | CHLORAMPHENICOL ACETYLTRANSFERASE 3 (NA) | NA | ||
| 6x7z | INS | Inositol (DB13178) | Inositol is an ingredient found in a variety of nutritional products. | ANTIFREEZE PROTEIN (NA) | NA | ||
| 7a1u | FUA | Fusidic acid (DB02703) | Fusidic acid is a topical antibacterial agent used to prevent and treat mild to moderate skin infections caused by susceptible bacteria. | 3C-LIKE PROTEINASE (Severe acute respiratory syndrome coronavirus 2) | NA | ||
| 7aqi | QEL | Ifenprodil (DB08954) | N-methyl-D-aspartate (NMDA) receptors (NMDARs) are members of the ionotropic glutamate receptor family, with key roles in brain development and neurological function.[A220118, A220128] NMDARs are heterotetramers that typically involve a dimer... | 3C-LIKE PROTEINASE (Severe acute respiratory syndrome coronavirus 2) | NA | ||
| 7awr | S7W | Tegafur (DB09256) | Tegafur is an antineoplastic agent used in combination with other anticancer medications to treat advanced gastric and colorectal cancers. | 3C-LIKE PROTEINASE (Severe acute respiratory syndrome coronavirus 2) | NA | ||
| 7aww | CLU | Clonidine (DB00575) | Clonidine is an alpha-2 adrenergic agonist used to treat hypertension and severe cancer pain, among other conditions, and to treat withdrawal symptoms from various substances. It is also used to aid in the diagnosis of pheochromocytoma and to prevent migraines. | 3C-LIKE PROTEINASE (Severe acute respiratory syndrome coronavirus 2) | NA | ||
| 7bts | ALE | Epinephrine (DB00668) | Epinephrine is a hormone and neurotransmitter used to treat allergic reactions, to restore cardiac rhythm, and to control mucosal congestion, glaucoma, and asthma. | LYSOZYME-BETA-1 ADRENERGIC RECEPTOR CHIMERA (Enterobacteria phage t4;homo sapiens;vicugna pacos) | Phage_lysozyme | ||
| 7cia | MPB | Methylparaben (DB14212) | Methylparaben is used in allergenic testing. | UDP-3-O-ACYL-N-ACETYLGLUCOSAMINE DEACETYLASE (Pseudomonas aeruginosa pao1) | LpxC | ||
| 7d7k | CFF | Caffeine (DB00201) | Caffeine is a stimulant present in tea, coffee, cola beverages, analgesic drugs, and agents used to increase alertness. It is also used in to prevent and treat pulmonary complications of premature birth. | NON-STRUCTURAL PROTEIN 3 (Severe acute respiratory syndrome coronavirus 2) | NA | ||
| 7dwq | PQN | Phylloquinone (DB01022) | Vitamin K1 is a fat soluble vitamin used to treat hemorrhagic conditions in infants and coumarin overdoses. | PHOTOSYSTEM I P740 CHLOROPHYLL A APOPROTEIN A1;PHOTOSYSTEM I REACTION CENTER SUBUNIT IX (NA) | NA | ||
| 7dwq | PQN | Phylloquinone (DB01022) | Vitamin K1 is a fat soluble vitamin used to treat hemorrhagic conditions in infants and coumarin overdoses. | PHOTOSYSTEM I P740 CHLOROPHYLL A APOPROTEIN A2;PHOTOSYSTEM I PROTEIN PSA27 (NA) | NA | ||
| 7ju7 | G65 | Masitinib (DB11526) | Masitinib is a tyrosine-kinase inhibitor used in the treatment of mast cell tumors in dogs. It has been available in Europe since 2009, under the brand name Masivet. In the... | 3C-LIKE PROTEINASE (Severe acute respiratory syndrome coronavirus 2) | NA | ||
| 7k12 | 1FL | Diflunisal (DB00861) | Diflunisal is an NSAID used to treat mild to moderate pain, inflammation, osteoarthritis, and rheumatoid arthritis. | 2-AMINO-3-CARBOXYMUCONATE 6-SEMIALDEHYDE DECARBOXYLASE (Pseudomonas fluorescens) | Amidohydro_2 | ||
| 7k6d | SV6 | Telaprevir (DB05521) | Telaprevir is an NS3/4A viral protease inhibitor used in combination with other antivirals for the curative treatment of chronic Hepatitis C Virus infections. | 3C-LIKE PROTEINASE (Severe acute respiratory syndrome coronavirus 2) | NA | ||
| 7khn | NCT | Nicotine (DB00184) | Nicotine is a stimulatory alkaloid found in tobacco products that is often used for the relief of nicotine withdrawal symptoms and as an aid to smoking cessation. | AMINE OXIDASE (Pseudomonas putida (strain s16)) | Amino_oxidase | ||
| 7llf | BO3 | Boric acid (DB11326) | Boric acid, also known as hydrogen borate, is a weak monobasic Lewis acid of boron with the chemical formula H3BO3. Boric acid is typically utilized in industrial processing and manufacturing,... | NON-STRUCTURAL PROTEIN 3 (Severe acute respiratory syndrome coronavirus 2) | NA | ||
| 7nay | BO3 | Boric acid (DB11326) | Boric acid, also known as hydrogen borate, is a weak monobasic Lewis acid of boron with the chemical formula H3BO3. Boric acid is typically utilized in industrial processing and manufacturing,... | L-LACTATE DEHYDROGENASE (Selenomonas ruminantium) | Ldh_1_CLdh_1_N | ||
| 7ocf | CYZ | Cyclothiazide (DB00606) | As a diuretic, cyclothiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides... | ISOFORM FLIP OF GLUTAMATE RECEPTOR 1;ISOFORM FLIP OF GLUTAMATE RECEPTOR 2 (NA) | NA | ||
| PDB | Ligand | Drug | Indication | Macromolecule/ Organism |
Pfam | Binding_Interfaces (View) | Details |