(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 |
|---|---|---|---|---|---|---|---|
| 1a95 | 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,... | XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE (Escherichia coli) | Pribosyltran | ||
| 1aj0 | SAN | Sulfanilamide (DB00259) | Sulfanilamide is a sulfonamide anti-infective used to treat vulvovaginal candidiasis caused by Candida albicans. | DIHYDROPTEROATE SYNTHASE (Escherichia coli) | Pterin_bind | ||
| 1aj6 | 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,... | GYRASE (Escherichia coli) | HATPase_c | ||
| 1d8c | SOR | Sorbitol (DB01638) | Sorbitol is a product that can be used as a laxative to relieve constipation, and also as a urologic irrigating fluid. May also be used as a pharmaceutical sweetener. | MALATE SYNTHASE G (Escherichia coli) | Malate_synthase | ||
| 1dfo | FFO | Levoleucovorin (DB11596) | Levoleucovorin is a folate analog used after high dose methotrexate for osteosarcoma, to reduce the toxic effects of folate analogs, and with 5-fluorouracil in palliative treatment of advanced metastatic colorectal cancer. | SERINE HYDROXYMETHYLTRANSFERASE (Escherichia coli) | SHMT | ||
| 1fxh | PAC | Phenylacetic acid (DB09269) | Phenylacetic acid is an agent used as an adjunct to treat acute hyperammonemia and associated encephalopathy in adult and pediatric patients with deficiencies in enzymes of the urea cycle. | PENICILLIN ACYLASE (Escherichia coli) | NA | ||
| 1gm7 | PNN | Benzylpenicillin (DB01053) | Benzylpenicillin is a penicillin used for the treatment of infections caused by gram-positive cocci, in particular streptococcal infections. This form of penicillin is typically used in intravenous or long-acting injectable formulations due to poor oral absorption. | PENICILLIN G ACYLASE ALPHA SUBUNIT;PENICILLIN G ACYLASE BETA SUBUNIT (Escherichia coli) | NA | ||
| 1jgs | SAL | Salicylic acid (DB00936) | Salicylic acid is an acid used to treat acne, psoriasis, calluses, corns, keratosis pilaris, and warts. | MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN MARR (Escherichia coli) | MarR | ||
| 1jom | FFO | Levoleucovorin (DB11596) | Levoleucovorin is a folate analog used after high dose methotrexate for osteosarcoma, to reduce the toxic effects of folate analogs, and with 5-fluorouracil in palliative treatment of advanced metastatic colorectal cancer. | DIHYDROFOLATE REDUCTASE (Escherichia coli) | DHFR_1 | ||
| 1kar | HSM | Histamine (DB05381) | Histamine is an ingredient of topical drugs for the relief of joint pain or muscle aches and pains. | HISTIDINOL DEHYDROGENASE (Escherichia coli) | Histidinol_dh | ||
| 1oj7 | 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,... | HYPOTHETICAL OXIDOREDUCTASE YQHD (Escherichia coli) | Fe-ADH | ||
| 1pvs | 7HP | Allopurinol (DB00437) | Allopurinol is a xanthine oxidase inhibitor used to reduce urinary and serum uric acid concentrations in patients with gout, recurrent calcium oxalate calculi, and various malignancies. | DNA-3-METHYLADENINE GLYCOSYLASE II (Escherichia coli) | AlkA_NHhH-GPD | ||
| 1pw7 | RAB | Vidarabine (DB00194) | Vidarabine is an antiviral agent used to treat various viral infections. | PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE (Escherichia coli o157:h7) | PNP_UDP_1 | ||
| 1q23 | 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. | CHLORAMPHENICOL ACETYLTRANSFERASE (Escherichia coli) | CAT | ||
| 1q6i | FK5 | Tacrolimus (DB00864) | Tacrolimus is a calcineurin inhibitor used to prevent organ transplant rejection and to treat moderate to severe atopic dermatitis. | FKBP-TYPE PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKPA (Escherichia coli) | FKBP_CFKBP_N | ||
| 1qsg | 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 (Escherichia coli) | adh_short_C2 | ||
| 1rnr | 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. | RIBONUCLEOTIDE REDUCTASE R1 PROTEIN (Escherichia coli) | Ribonuc_red_sm | ||
| 1rqj | RIS | Risedronic acid (DB00884) | Risedronic acid is a bisphosphonate used to treat osteoporosis and Paget's disease. | GERANYLTRANSTRANSFERASE (Escherichia coli) | polyprenyl_synt | ||
| 1s14 | 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 (Escherichia coli) | HATPase_c | ||
| 1t9u | CPF | Ciprofloxacin (DB00537) | Ciprofloxacin is a second generation fluoroquinolone used to treat various susceptible bacterial infections. | ACRIFLAVINE RESISTANCE PROTEIN B (Escherichia coli) | ACR_tran | ||
| 1u7g | 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... | PROBABLE AMMONIUM TRANSPORTER (Escherichia coli) | NA | ||
| 1usq | 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. | DR HEMAGGLUTININ STRUCTURAL SUBUNIT (Escherichia coli) | Adhesin_Dr | ||
| 1yki | NFZ | Nitrofural (DB00336) | Nitrofural is a topical antibacterial for the prevention and treatment of bacterial infections of the skin. | OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE (Escherichia coli) | Nitroreductase | ||
| 1ymx | 1QL | Cefoxitin (DB01331) | Cefoxitin is a semi-synthetic, broad-spectrum antibiotic for parenteral administration used for the treatment of serious bacterial infections, such as urinary tract infection, blood infection, bone and joint infection, and lower respiratory tract infection. | BETA-LACTAMASE CTX-M-9 (Escherichia coli) | Beta-lactamase2 | ||
| 1yvm | TMG | Thiabendazole (DB00730) | Thiabendazole is a benzimidazole used in the treatment of strongyloides, cutaneous larva migrans, visceral larva migrans, and trichinosis infections. | METHIONINE AMINOPEPTIDASE (Escherichia coli) | Peptidase_M24 | ||
| 2bue | RIO | Ribostamycin (DB03615) | Ribostamycin is a broad spectrum aminoglycoside antibiotic on the list of WHO critical antimicrobials for human medicine. | AAC(6')-IB (Escherichia coli) | Acetyltransf_8 | ||
| 2hcj | TAC | Tetracycline (DB00759) | Tetracycline is an antibiotic used to treat a wide variety of susceptible infections. | PROTEIN CHAIN ELONGATION FACTOR EF-TU (Escherichia coli) | GTP_EFTU_D2GTP_EFTU_D3 | ||
| 2j58 | SC2 | Acetylcysteine (DB06151) | Acetylcysteine is a medication that can be used as a mucolytic in patients with certain lung conditions and as an antidote for acetaminophen overdose. | OUTER MEMBRANE LIPOPROTEIN WZA (Escherichia coli) | Poly_exportSLBBWza_C | ||
| 2jkn | CL8 | Chloramphenicol succinate (DB07565) | Chloramphenicol succinate is a broad-spectrum antibiotic agent used for the treatment of acute and severe infections caused by susceptible bacterial strains. | DR HEMAGGLUTININ STRUCTURAL SUBUNIT (Escherichia coli) | Adhesin_Dr | ||
| 2kce | D16 | Raltitrexed (DB00293) | Raltitrexed is a folate analog thymidylate synthase inhibitor used in the treatment of advanced colorectal cancer. | THYMIDYLATE SYNTHASE (Escherichia coli) | Thymidylat_synt | ||
| 2rdd | AIC | Ampicillin (DB00415) | Ampicillin is a penicillin derivative used for the treatment of a variety of infections caused by gram-positive and gram-negative bacteria as well as some anaerobes. | ACRIFLAVINE RESISTANCE PROTEIN B (Escherichia coli) | ACR_tran | ||
| 2tct | CTC | Chlortetracycline (DB09093) | Chlortetracycline is the first tetracycline antibiotic most commonly used for veterinary purposes. | TETRACYCLINE REPRESSOR (Escherichia coli) | TetR_C_1TetR_N | ||
| 2vqy | 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(6')-IB (Escherichia coli) | Acetyltransf_8 | ||
| 2wdq | CBE | Carboxin (DB04657) | A systemic agricultural fungicide and seed treatment agent. | SUCCINATE DEHYDROGENASE CYTOCHROME B556 SUBUNIT;SUCCINATE DEHYDROGENASE HYDROPHOBIC MEMBRANE ANCHOR SUBUNIT;SUCCINATE DEHYDROGENASE IRON-SULFUR SUBUNIT (Escherichia coli) | Fer2_3Fer4_17Sdh_cyt | ||
| 2xpv | MIY | Minocycline (DB01017) | Minocycline is a tetracycline analog used to treat a wide variety of infections in the body. | TETRACYCLINE REPRESSOR PROTEIN CLASS D (Escherichia coli) | TetR_C_1TetR_N | ||
| 2xpw | OTC | Oxytetracycline (DB00595) | Oxytetracycline is a tetracycline antibiotic used to treat a wide variety of susceptible bacterial infections. | TETRACYCLINE REPRESSOR PROTEIN CLASS D (Escherichia coli) | TetR_C_1TetR_N | ||
| 2zqc | AZR | Aztreonam (DB00355) | Aztreonam is a beta-lactam antibiotic used to treat select aztreonam sensitive gram negative bacteria. | BETA-LACTAMASE TOHO-1 (Escherichia coli) | Beta-lactamase2 | ||
| 3frq | ERY | Erythromycin (DB00199) | Erythromycin is a macrolide antibiotic used to treat and prevent a variety of bacterial infections. | REPRESSOR PROTEIN MPHR(A) (Escherichia coli) | TetR_N | ||
| 3huo | PNN | Benzylpenicillin (DB01053) | Benzylpenicillin is a penicillin used for the treatment of infections caused by gram-positive cocci, in particular streptococcal infections. This form of penicillin is typically used in intravenous or long-acting injectable formulations due to poor oral absorption. | CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE (Escherichia coli) | Beta-lactamase2 | ||
| 3ita | AIC | Ampicillin (DB00415) | Ampicillin is a penicillin derivative used for the treatment of a variety of infections caused by gram-positive and gram-negative bacteria as well as some anaerobes. | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACC (Escherichia coli) | PBP5_CPeptidase_S11 | ||
| 3kvv | URF | Fluorouracil (DB00544) | Fluorouracil is a pyrimidine analog used to treat basal cell carcinomas, and as an injection in palliative cancer treatment. | URIDINE PHOSPHORYLASE (Escherichia coli) | PNP_UDP_1 | ||
| 3l1m | HQI | Oxyquinoline (DB11145) | Oxyquinoline is a medication used in combination with other medications to restore vaginal pH. | SOLUBLE CYTOCHROME B562 (Escherichia coli) | Cytochrom_B562 | ||
| 3mze | 1QL | Cefoxitin (DB01331) | Cefoxitin is a semi-synthetic, broad-spectrum antibiotic for parenteral administration used for the treatment of serious bacterial infections, such as urinary tract infection, blood infection, bone and joint infection, and lower respiratory tract infection. | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACA (Escherichia coli) | PBP5_CPeptidase_S11 | ||
| 3q07 | WPP | Piperacillin (DB00319) | Piperacillin is a penicillin antibiotic combined with tazobactam to treat piperacillin-resistant, piperacillin/tazobactam susceptible, β-lactamase generating strains of several bacteria. | BETA-LACTAMASE (Escherichia coli) | Beta-lactamase2 | ||
| 3rum | CCS | Carbocisteine (DB04339) | Carbocisteine is a expectorant mucolytic used in the relief of respiratory of COPD and other conditions associated with increased mucus viscosity. | MALTOSE-BINDING PERIPLASMIC PROTEIN (Escherichia coli k-12;amycolatopsis lurida) | SBP_bac_1 | ||
| 3u9f | 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 (Escherichia coli) | CAT | ||
| 3vma | M0E | Bambermycins (DB11377) | Bambermycins are antibiotic complexes which are retrieved from the organism, Streptomyces bambergiensis. They are used as an additive in food ingested by chickens and swine. The bambermycin complex of antibiotics... | PENICILLIN-BINDING PROTEIN 1B (Escherichia coli) | TransglyTranspeptidaseUB2H | ||
| 3w0o | HY0 | Hygromycin b (DB11520) | Hygromycin B is an aminoglycoside antibiotic produced by the bacterium Streptomyces hygroscopicus which kills bacteria, fungi and higher eukaryotic cells by inhibiting protein synthesis. | HYGROMYCIN-B 4-O-KINASE (Escherichia coli) | APH | ||
| 3zqt | 30Z | Masoprocol (DB00179) | A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in... | ANDROGEN RECEPTOR (Escherichia coli) | Hormone_recep | ||
| 4ac0 | MIY | Minocycline (DB01017) | Minocycline is a tetracycline analog used to treat a wide variety of infections in the body. | TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN1 0 (Escherichia coli) | TetR_C_1TetR_N | ||
| 4dx5 | MIY | Minocycline (DB01017) | Minocycline is a tetracycline analog used to treat a wide variety of infections in the body. | ACRIFLAVINE RESISTANCE PROTEIN B (Escherichia coli;synthetic construct) | ACR_tran | ||
| 4dx7 | DM2 | Doxorubicin (DB00997) | Doxorubicin is a medication used to treat various cancers and Kaposi's Sarcoma. | ACRIFLAVINE RESISTANCE PROTEIN B (Escherichia coli;synthetic construct) | ACR_tran | ||
| 4gcp | AIC | Ampicillin (DB00415) | Ampicillin is a penicillin derivative used for the treatment of a variety of infections caused by gram-positive and gram-negative bacteria as well as some anaerobes. | OUTER MEMBRANE PROTEIN F (Escherichia coli) | Porin_1 | ||
| 4gcq | 0JM | Carbenicillin (DB00578) | Broad-spectrum semisynthetic penicillin derivative used parenterally. It is susceptible to gastric juice and penicillinase and may damage platelet function. | OUTER MEMBRANE PROTEIN F (Escherichia coli) | Porin_1 | ||
| 4gcs | 1RG | Ertapenem (DB00303) | Ertapenem is a carbapenem antibiotic used for the treatment of moderate to severe bacterial infections caused by specific sensitive organisms. | OUTER MEMBRANE PROTEIN F (Escherichia coli) | Porin_1 | ||
| 4iaq | 2GM | Dihydroergotamine (DB00320) | Dihydroergotamine is an ergot alkaloid used in the acute treatment of migraine headache and cluster headache. | CHIMERA PROTEIN OF HUMAN 5-HYDROXYTRYPTAMINE RECEPTOR 1B AND E. COLI SOLUBLE CYTOCHROME B562 (Homo sapiens;escherichia coli) | 7tm_1Cytochrom_B562 | ||
| 4iar | ERM | Ergotamine (DB00696) | Ergotamine is a alpha-1 selective adrenergic agonist vasoconstrictor used to treat migraines with or without aura and cluster headaches. | CHIMERA PROTEIN OF HUMAN 5-HYDROXYTRYPTAMINE RECEPTOR 1B AND E. COLI SOLUBLE CYTOCHROME B562 (Homo sapiens;escherichia coli) | 7tm_1Cytochrom_B562 | ||
| 4ib4 | ERM | Ergotamine (DB00696) | Ergotamine is a alpha-1 selective adrenergic agonist vasoconstrictor used to treat migraines with or without aura and cluster headaches. | CHIMERA PROTEIN OF HUMAN 5-HYDROXYTRYPTAMINE RECEPTOR 2B AND E. COLI SOLUBLE CYTOCHROME B562 (Homo sapiens;escherichia coli) | 7tm_1Cytochrom_B562 | ||
| 4k7q | ZLD | Linezolid (DB00601) | Linezolid is an oxazolidinone antibiotic used to treat infections by susceptible strains of aerobic Gram-positive bacteria. | ACRIFLAVINE RESISTANCE PROTEIN B (Escherichia coli) | ACR_tran | ||
| 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 | ||
| 4lhm | AZZ | Zidovudine (DB00495) | Zidovudine is a dideoxynucleoside used in the treatment of HIV infection. | THYMIDINE PHOSPHORYLASE (Escherichia coli) | Glycos_trans_3NGlycos_transf_3PYNP_C | ||
| 4m5m | DX4 | Tioguanine (DB00352) | Tioguanine is a purine analogue antineoplastic agent used for the induction of remission, and for remission consolidation in patients with acute nonlymphocytic anemias. | 2-AMINO-4-HYDROXY-6-HYDROXYMETHYLDIHYDROPTERIDINE PYROPHOSPHOKINASE (Escherichia coli) | HPPK | ||
| 4mjq | 27R | Bromfenac (DB00963) | Bromfenac is an NSAID used to treat postoperative pain and inflammation of the eye. | DNA POLYMERASE III SUBUNIT BETA (Escherichia coli) | DNA_pol3_betaDNA_pol3_beta_2DNA_pol3_beta_3 | ||
| 4z3g | 4KS | Mequinol (DB09516) | Mequinol is a topical agent used in combination with tretinoin to treat solar lentigines. | PAPG, LECTIN DOMAIN (Escherichia coli) | NA | ||
| 4zud | OLM | Olmesartan (DB00275) | Olmesartan is an angiotensin receptor blocker (ARB) used in the treatment of hypertension. | CHIMERA PROTEIN OF SOLUBLE CYTOCHROME B562 AND TYPE-1 ANGIOTENSIN II RECEPTOR (Escherichia coli;homo sapiens) | 7tm_1Cytochrom_B562 | ||
| 5ent | MIY | Minocycline (DB01017) | Minocycline is a tetracycline analog used to treat a wide variety of infections in the body. | MULTIDRUG EFFLUX PUMP SUBUNIT ACRB (Escherichia coli k-12;synthetic construct) | NA | ||
| 5hlb | AZR | Aztreonam (DB00355) | Aztreonam is a beta-lactam antibiotic used to treat select aztreonam sensitive gram negative bacteria. | PENICILLIN-BINDING PROTEIN 1B (Escherichia coli (strain k12)) | TransglyTranspeptidaseUB2H | ||
| 5i3c | AC2 | Acyclovir (DB00787) | Acyclovir is a guanosine analog used to treat herpes simplex, varicella zoster, herpes zoster. | PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE (Escherichia coli o139:h28 (strain e24377a / etec)) | PNP_UDP_1 | ||
| 5igi | ZIT | Azithromycin (DB00207) | Azithromycin is a macrolide antibiotic used to treat a variety of bacterial infections. | MACROLIDE 2'-PHOSPHOTRANSFERASE (Escherichia coli) | APH | ||
| 5igj | CTY | Clarithromycin (DB01211) | Clarithromycin is a macrolide antibiotic used for the treatment of a wide variety of bacterial infections such as acute otitis, pharyngitis, tonsillitis, respiratory tract infections, uncomplicated skin infections, and helicobacter pylori infection. | MACROLIDE 2'-PHOSPHOTRANSFERASE (Escherichia coli) | APH | ||
| 5igs | ZIO | Oleandomycin (DB11442) | Oleandomycin is a macrolide antibiotic, though it is less effective than erythromycin. It is synthesized from strains of Streptomyces antibioticus. | MACROLIDE 2'-PHOSPHOTRANSFERASE (Escherichia coli) | APH | ||
| 5igt | ERY | Erythromycin (DB00199) | Erythromycin is a macrolide antibiotic used to treat and prevent a variety of bacterial infections. | MACROLIDE 2'-PHOSPHOTRANSFERASE (Escherichia coli) | APH | ||
| 5igv | ZIT | Azithromycin (DB00207) | Azithromycin is a macrolide antibiotic used to treat a variety of bacterial infections. | MACROLIDE 2'-PHOSPHOTRANSFERASE II (Escherichia coli) | APH | ||
| 5igw | CTY | Clarithromycin (DB01211) | Clarithromycin is a macrolide antibiotic used for the treatment of a wide variety of bacterial infections such as acute otitis, pharyngitis, tonsillitis, respiratory tract infections, uncomplicated skin infections, and helicobacter pylori infection. | MACROLIDE 2'-PHOSPHOTRANSFERASE II (Escherichia coli) | APH | ||
| 5igz | SPR | Spiramycin (DB06145) | Spiramycin is a macrolide antimicrobial agent used in the treatment of various bacterial infections. | MACROLIDE 2'-PHOSPHOTRANSFERASE II (Escherichia coli) | APH | ||
| 5iwu | ERY | Erythromycin (DB00199) | Erythromycin is a macrolide antibiotic used to treat and prevent a variety of bacterial infections. | MACROLIDE 2'-PHOSPHOTRANSFERASE II (Escherichia coli) | APH | ||
| 5jmn | 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. | MULTIDRUG EFFLUX PUMP SUBUNIT ACRB (Escherichia coli (strain k12);synthetic construct) | ACR_tran | ||
| 5k4p | SOR | Sorbitol (DB01638) | Sorbitol is a product that can be used as a laxative to relieve constipation, and also as a urologic irrigating fluid. May also be used as a pharmaceutical sweetener. | PROBABLE PHOSPHATIDYLETHANOLAMINE TRANSFERASE MCR-1 (Escherichia coli bl21(de3)) | Sulfatase | ||
| 5kmw | PNN | Benzylpenicillin (DB01053) | Benzylpenicillin is a penicillin used for the treatment of infections caused by gram-positive cocci, in particular streptococcal infections. This form of penicillin is typically used in intravenous or long-acting injectable formulations due to poor oral absorption. | BETA-LACTAMASE TOHO-1 (Escherichia coli) | Beta-lactamase2 | ||
| 5l7i | VIS | Vismodegib (DB08828) | Vismodegib is a hedgehog pathway inhibitor used to treat patients with locally advanced or metastatic basal cell carcinoma. | SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG (Homo sapiens;escherichia coli) | FrizzledFz | ||
| 5mzj | TEP | Theophylline (DB00277) | Theophylline is a xanthine used to manage the symptoms of asthma, COPD, and other lung conditions caused by reversible airflow obstruction. | ADENOSINE RECEPTOR A2A,SOLUBLE CYTOCHROME B562,ADENOSINE RECEPTOR A2A (Homo sapiens;escherichia coli) | 7tm_1Cytochrom_B562 | ||
| 5mzp | 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. | ADENOSINE RECEPTOR A2A,SOLUBLE CYTOCHROME B562,ADENOSINE RECEPTOR A2A (Homo sapiens;escherichia coli) | 7tm_1Cytochrom_B562 | ||
| 5uih | 8CV | Phenformin (DB00914) | A biguanide hypoglycemic agent with actions and uses similar to those of metformin. Although it is generally considered to be associated with an unacceptably high incidence of lactic acidosis, often... | DIHYDROFOLATE REDUCTASE (Escherichia coli) | DHFR_1 | ||
| 5ypi | 8YF | Imipenem (DB01598) | Imipenem is a carbapenem antibiotic normally administered with cilastatin to treat a variety of infections. | METALLO-BETA-LACTAMASE NDM-1 (Escherichia coli) | Lactamase_B | ||
| 6a93 | 8NU | Risperidone (DB00734) | Risperidone is a second-generation antipsychotic medication used to treat a number of mental health disorders including schizophrenia, bipolar mania, psychosis, or as an adjunct in severe depression. | 5-HYDROXYTRYPTAMINE RECEPTOR 2A,SOLUBLE CYTOCHROME B562 (Homo sapiens;escherichia coli) | 7tm_1Cytochrom_B562 | ||
| 6a94 | ZOT | Zotepine (DB09225) | Zotepine, with the formula (2-chloro-11-(2-dimethyl-amino-ethoxy)-dibenzo thiepin, is a neuroleptic drug. It was designed and synthesized by Fujisawa Pharmaceutical Co Ltd. It has been used as an antipsychotic in Japan, India... | 5-HYDROXYTRYPTAMINE RECEPTOR 2A,SOLUBLE CYTOCHROME B562 (Homo sapiens;escherichia coli) | 7tm_1Cytochrom_B562 | ||
| 6ak3 | P2E | Dinoprostone (DB00917) | Dinoprostone is a prostaglandin used to induce labor or abortion as well as to treat nonmetastatic gestational trophoblastic disease. | PROSTAGLANDIN E2 RECEPTOR EP3 SUBTYPE,SOLUBLE CYTOCHROME B562 (Homo sapiens;escherichia coli) | 7tm_1 | ||
| 6b89 | 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,... | LIPOPOLYSACCHARIDE EXPORT SYSTEM ATP-BINDING PROTEIN LPTB (Escherichia coli (strain k12)) | ABC_tranBCA_ABC_TP_C | ||
| 6bfh | KAN | Kanamycin (DB01172) | Kanamycin is an aminoglycoside antibiotic agent used in the treatment of various infections caused by susceptible bacteria. | AMINOGLYCOSIDE ACETYLTRANSFERASE (Escherichia coli) | Acetyltransf_8 | ||
| 6bqg | ERM | Ergotamine (DB00696) | Ergotamine is a alpha-1 selective adrenergic agonist vasoconstrictor used to treat migraines with or without aura and cluster headaches. | 5-HYDROXYTRYPTAMINE RECEPTOR 2C,SOLUBLE CYTOCHROME B562 (Homo sapiens;escherichia coli) | 7tm_1Cytochrom_B562 | ||
| 6c79 | CE3 | Cefotaxime (DB00493) | Cefotaxime is a third generation cephalosporin used to treat susceptible Gram negative and Gram positive bacterial infections. | BETA-LACTAMASE TOHO-1 (Escherichia coli) | Beta-lactamase2 | ||
| 6drx | H8G | Lisuride (DB00589) | An ergot derivative that acts as an agonist at dopamine D2 receptors (dopamine agonists). It may also act as an antagonist at dopamine D1 receptors, and as an agonist at... | 5HT2B RECEPTOR, BRIL CHIMERA (Homo sapiens;escherichia coli) | 7tm_1 | ||
| 6dry | H8D | Methylergometrine (DB00353) | Methylergometrine is an ergot alkaloid used to prevent and control uterine atony and hemorrhage before and after delivery. | 5HT2B RECEPTOR, BRIL CHIMERA (Homo sapiens;escherichia coli) | 7tm_1 | ||
| 6drz | H8J | Methysergide (DB00247) | Methysergide is an ergot alkaloid used for the prophylaxis of migraine and cluster headaches. | 5HT2B RECEPTOR, BRIL CHIMERA (Homo sapiens;escherichia coli) | 7tm_1 | ||
| 6fpl | TAC | Tetracycline (DB00759) | Tetracycline is an antibiotic used to treat a wide variety of susceptible infections. | TETRACYCLINE REPRESSOR PROTEIN CLASS D (Escherichia coli) | TetR_C_1TetR_N | ||
| 6gs4 | F9E | Valganciclovir (DB01610) | Valganciclovir is an antiviral medication used to treat cytomegalovirus (CMV) retinitis in patients diagnosed with acquired immunodeficiency syndrome (AIDS). | DIPEPTIDE AND TRIPEPTIDE PERMEASE A (Escherichia coli k-12;lama glama) | PTR2 | ||
| 6h7j | 5FW | Isoprenaline (DB01064) | Isoprenaline is a catecholamine non-selective beta-adrenergic agonist typically used to treat bradycardia and heart block. | BETA-1 ADRENERGIC RECEPTOR (Escherichia coli (strain k12);meleagris gallopavo;lama glama) | 7tm_1 | ||
| 6h7l | Y00 | Dobutamine (DB00841) | Dobutamine is a beta-1 agonist used to treat cardiac decompensation in patients with organic heart disease or from cardiac surgery. | BETA-1 ADRENERGIC RECEPTOR (Escherichia coli (strain k12);meleagris gallopavo;lama glama) | 7tm_1 | ||
| 6h7m | 68H | Levosalbutamol (DB13139) | Levosalbutamol is a beta-2 adrenergic receptor agonist used to treat COPD and asthma. | BETA-1 ADRENERGIC RECEPTOR (Escherichia coli (strain k12);meleagris gallopavo;lama glama) | 7tm_1 | ||
| 6h7n | FVK | Xamoterol (DB13781) | Xamoterol is a β1-adrenoceptor partial agonist that has shown to improve systolic and diastolic function in studies with heart failure patients. It modulates the sympathetic control of the heart but... | BETA-1 ADRENERGIC RECEPTOR (Escherichia coli (strain k12);meleagris gallopavo;lama glama) | 7tm_1 | ||
| 6ibl | H98 | Arformoterol (DB01274) | Arformoterol is a beta-2 adrenergic agonist and bronchodilator used for long term, symptomatic treatment of reversible bronchoconstriction in patients with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and emphysema. | THIOREDOXIN 1,BETA-1 ADRENERGIC RECEPTOR (Escherichia coli (strain k12);meleagris gallopavo;lama glama) | 7tm_1Thioredoxin | ||
| 6me9 | JEV | Ramelteon (DB00980) | Ramelteon is a melatonin receptor agonist used to treat insomnia. | SOLUBLE CYTOCHROME B562,MELATONIN RECEPTOR TYPE 1B,RUBREDOXIN (Escherichia coli;homo sapiens;clostridium pasteurianum) | 7tm_1Cytochrom_B562Rubredoxin | ||
| 6mn4 | AM2 | Apramycin (DB04626) | Apramycin is an aminoglycoside antibiotic for veterinary use that is used to treat infections in animals. | AMINOGLYCOSIDE N(3)-ACETYLTRANSFERASE, AAC(3)-IVA (Escherichia coli) | Antibiotic_NAT | ||
| 6ot4 | HAE | Acetohydroxamic acid (DB00551) | Acetohydroxamic acid is a synthetic urea derivative used to treat urea splitting bacterial infections of the urinary tract. | SOLUBLE CYTOCHROME B562 (Escherichia coli) | Cytochrom_B562 | ||
| 6pq8 | J01 | Clavulanic acid (DB00766) | Clavulanic acid is a beta lactamase inhibitor used to enhance the effectiveness of beta lactam antibiotics. | BETA-LACTAMASE (Escherichia coli) | Beta-lactamase2 | ||
| 6pv7 | 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. | FUSION PROTEIN OF NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-3 AND SOLUBLE CYTOCHROME B562;FUSION PROTEIN OF NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT BETA-4 AND SOLUBLE CYTOCHROME B562 (Homo sapiens;escherichia coli o11;mus musculus) | Neur_chan_LBDNeur_chan_memb | ||
| 6rgx | DXT | Doxycycline (DB00254) | Doxycycline is a tetracycline antibiotic used to treat a wide variety of bacterial infections. | TETRACYCLINE REPRESSOR PROTEIN CLASS D (Escherichia coli) | TetR_C_1TetR_N | ||
| 6rum | TOP | Trimethoprim (DB00440) | Trimethoprim is an antifolate antibiotic often used in combination with sulfamethoxazole to treat a number of infections, including those of the urinary tract, respiratory tract, and gastrointestinal tract. | GFP-LAMA-G97 A GFP ENHANCER NANOBODY WITH CPDHFR INSERTION (Lama glama;escherichia coli (strain k12)) | NA | ||
| 6rz5 | ZLK | Zafirlukast (DB00549) | Zafirlukast is a leukotriene receptor antagonist used for prophylaxis and chronic treatment of asthma. | CYSTEINYL LEUKOTRIENE RECEPTOR 1,SOLUBLE CYTOCHROME B562,CYSTEINYL LEUKOTRIENE RECEPTOR 1 (Homo sapiens;escherichia coli) | 7tm_1 | ||
| 6skr | 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 (Escherichia coli) | Transpeptidase | ||
| 6sm7 | 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,... | 3-SULFOLACTALDEHYDE REDUCTASE (Escherichia coli) | NAD_binding_11NAD_binding_2 | ||
| 6tsh | DGJ | Migalastat (DB05018) | Migalastat is an alpha-galactosidase A chaperone used for the treatment of Fabry disease in patients with an amenable galactosidase alpha gene (GLA) variant. | BETA-GALACTOSIDASE (Escherichia coli) | Bgal_small_NDUF4981Glyco_hydro_2Glyco_hydro_2_CGlyco_hydro_2_N | ||
| 6u18 | CTY | Clarithromycin (DB01211) | Clarithromycin is a macrolide antibiotic used for the treatment of a wide variety of bacterial infections such as acute otitis, pharyngitis, tonsillitis, respiratory tract infections, uncomplicated skin infections, and helicobacter pylori infection. | ERYTHROMYCIN RESISTANCE REPRESSOR PROTEIN (Escherichia coli) | TetR_N | ||
| 6unb | TJ7 | Temocillin (DB12343) | Temocillin has been investigated in Infection, Liver Dysfunction, and Urinary Tract Infection. | BETA-LACTAMASE (Escherichia coli) | Beta-lactamase2 | ||
| 6ur8 | QMR | Varenicline (DB01273) | Varenicline is a partial agonist at nicotinic acetylcholine receptors used as an aid in smoking cessation. | CHIMERA OF SOLUBLE CYTOCHROME B562 (BRIL) AND NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-4;NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT BETA-2 (Homo sapiens;escherichia coli) | Neur_chan_LBDNeur_chan_memb | ||
| 6v7h | 4D6 | Vaborbactam (DB12107) | Vaborbactam is a beta lactamase inhibitor used to treat complicated urinary tract infections. | BETA-LACTAMASE (Escherichia coli) | Beta-lactamase2 | ||
| 6vrz | 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. | MULTIDRUG TRANSPORTER MDFA (Escherichia coli) | MFS_1 | ||
| 6whf | 9EP | Cefalotin (DB00456) | Cefalotin is a broad-spectrum cephalosporin antibiotic used for the treatment of serious bacterial infections in various locations, such as the urinary tract, skin, bone, and lower respiratory tract. | BETA-LACTAMASE (Escherichia coli) | Beta-lactamase | ||
| 6wl5 | 16A | Cetrimonium (DB01718) | Cetrimonium is a compound that can be used as a topical antiseptic. | ECMRR TRANSCRIPTIONAL REGULATOR (Escherichia coli) | NA | ||
| 6xg5 | TOP | Trimethoprim (DB00440) | Trimethoprim is an antifolate antibiotic often used in combination with sulfamethoxazole to treat a number of infections, including those of the urinary tract, respiratory tract, and gastrointestinal tract. | DIHYDROFOLATE REDUCTASE (Escherichia coli (strain k12)) | DHFR_1 | ||
| 6zo9 | RBT | Rifabutin (DB00615) | Rifabutin is an antibiotic used to treat mycobacterium avium complex disease in patients with HIV. | MULTIDRUG EFFLUX PUMP SUBUNIT ACRB (Escherichia coli k-12;synthetic construct) | ACR_tran | ||
| 6zoc | ERY | Erythromycin (DB00199) | Erythromycin is a macrolide antibiotic used to treat and prevent a variety of bacterial infections. | MULTIDRUG EFFLUX PUMP SUBUNIT ACRB (Escherichia coli k-12;synthetic construct) | ACR_tran | ||
| 7cmu | G6L | Pramipexole (DB00413) | Pramipexole is a non-ergot dopamine agonist used to treat the signs and symptoms of idiopathic Parkinson's disease and Restless Legs Syndrome (RLS). | SOLUBLE CYTOCHROME B562,D(3) DOPAMINE RECEPTOR (Homo sapiens;mus musculus;escherichia coli) | 7tm_1Cytochrom_B562 | ||
| 7e2z | 9SC | Aripiprazole (DB01238) | Aripiprazole is an atypical antipsychotic used in the treatment of a wide variety of mood and psychotic disorders, such as schizophrenia, bipolar I, major depressive disorder, irritability associated with autism, and Tourette's syndrome. | SOLUBLE CYTOCHROME B562,5-HYDROXYTRYPTAMINE RECEPTOR 1A (Homo sapiens;escherichia coli) | 7tm_1Cytochrom_B562 | ||
| 7jvr | 08Y | Bromocriptine (DB01200) | Bromocriptine is a dopamine D2 receptor agonist used for the treatment of galactorrhea due to hyperprolactinemia and other prolactin-related conditions, as well as in early Parkinsonian Syndrome. | SOLUBLE CYTOCHROME B562,D(2) DOPAMINE RECEPTOR (Escherichia coli;homo sapiens;synthetic construct) | 7tm_1 | ||
| 7krz | BO2 | Bortezomib (DB00188) | Bortezomib is a proteasome inhibitor used to treat multiple myeloma in patients who have not been successfully treated with at least two previous therapies. | LON PROTEASE HOMOLOG, MITOCHONDRIAL (Homo sapiens;escherichia coli bl21(de3)) | AAA | ||
| PDB | Ligand | Drug | Indication | Macromolecule/ Organism |
Pfam | Binding_Interfaces (View) | Details |