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| PDB | Ligand | Drug | Indication | Macromolecule/ Organism |
Pfam | Binding_Interfaces (View) | Details |
|---|---|---|---|---|---|---|---|
| 1ea1 | TPF | Fluconazole (DB00196) | Fluconazole is a triazole antifungal used to treat various fungal infections including candidiasis. | CYTOCHROME P450 51-LIKE RV0764C (Mycobacterium tuberculosis) | p450 | ||
| 1nr6 | DIF | Diclofenac (DB00586) | Diclofenac is an NSAID used to treat the signs and symptoms of osteoarthritis and rheumatoid arthritis. | CYTOCHROME P450 2C5 (Oryctolagus cuniculus) | p450 | ||
| 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 | ||
| 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 | ||
| 1r9o | FLP | Flurbiprofen (DB00712) | Flurbiprofen is an NSAID used to treat the signs and symptoms of osteoarthritis and rheumatoid arthritis. | CYTOCHROME P450 2C9 (Homo sapiens) | p450 | ||
| 1x8v | ESL | Estriol (DB04573) | Estriol is a weak estrogen used to treat vaginal dryness and estrogen deficiency conditions, such as vaginitis and vulvar itching. | CYTOCHROME P450 51 (Mycobacterium tuberculosis) | p450 | ||
| 1z11 | 8MO | Methoxsalen (DB00553) | Methoxsalen is a furocoumarin used to treat psoriasis and vitiligo. | CYTOCHROME P450, FAMILY 2, SUBFAMILY A, POLYPEPTIDE 6 (Homo sapiens) | p450 | ||
| 2bdm | TMI | Bifonazole (DB04794) | Bifonazole is an azole antifungal drug used to treat fungal skin infections, such as dermatomycosis. | CYTOCHROME P450 2B4 (Oryctolagus cuniculus) | p450 | ||
| 2ij7 | TPF | Fluconazole (DB00196) | Fluconazole is a triazole antifungal used to treat various fungal infections including candidiasis. | CYTOCHROME P450 121 (Mycobacterium tuberculosis) | p450 | ||
| 2j0d | ERY | Erythromycin (DB00199) | Erythromycin is a macrolide antibiotic used to treat and prevent a variety of bacterial infections. | CYTOCHROME P450 3A4 (Homo sapiens) | p450 | ||
| 2nnh | 9CR | Alitretinoin (DB00523) | Alitretinoin is a vitamin A derivative used to treat Kaposi's sarcoma and used off label to treat chronic hand eczema and psoriasis. | CYTOCHROME P450 2C8 (Homo sapiens) | p450 | ||
| 2nni | MTK | Montelukast (DB00471) | Montelukast is a leukotriene receptor antagonist used as part of an asthma therapy regimen, to prevent exercise induced bronchoconstriction, and to treat seasonal allergic rhinitis. | CYTOCHROME P450 2C8 (Homo sapiens) | p450 | ||
| 2nnj | 225 | Felodipine (DB01023) | Felodipine is a calcium channel blocker used to treat hypertension. | CYTOCHROME P450 2C8 (Homo sapiens) | p450 | ||
| 3dl9 | V2H | Doxercalciferol (DB06410) | Doxercalciferol is a synthetic vitamin D2 analog used to treat secondary hyperparathyroidism in patients with chronic kidney disease with or without therapy of dialysis. | CYTOCHROME P450 2R1 (Homo sapiens) | p450 | ||
| 3e4e | 4PZ | Fomepizole (DB01213) | Fomepizole is an inhibitor of alcohol dehydrogenase used as an antidote in confirmed or suspected methanol or ethylene glycol poisoning. | CYTOCHROME P450 2E1 (Homo sapiens) | p450 | ||
| 3kw4 | TIC | Ticlopidine (DB00208) | Ticlopidine is a platelet aggregation inhibitor used in the prevention of conditions associated with thrombi, such as stroke and transient ischemic attacks (TIA). | CYTOCHROME P450 2B4 (Oryctolagus cuniculus) | p450 | ||
| 3nxu | RIT | Ritonavir (DB00503) | Ritonavir is an HIV protease inhibitor used in combination with other antivirals in the treatment of HIV infection. | CYTOCHROME P450 3A4 (Homo sapiens) | p450 | ||
| 3s7s | EXM | Exemestane (DB00990) | Exemestane is an aromatase inhibitor used to treat breast cancer in postmenopausal women after treatment with tamoxifen. | CYTOCHROME P450 19A1 (Homo sapiens) | p450 | ||
| 3t3q | 9PL | Pilocarpine (DB01085) | Pilocarpine is a muscarinic cholinergic agonist used on the eye to treat elevated intraocular pressure, various types of glaucoma, and to induce miosis. Also available orally to treat symptoms of dry mouth associated with Sjogren's syndrome and radiotherapy. | CYTOCHROME P450 2A6 (Homo sapiens) | p450 | ||
| 3t3z | 9PL | Pilocarpine (DB01085) | Pilocarpine is a muscarinic cholinergic agonist used on the eye to treat elevated intraocular pressure, various types of glaucoma, and to induce miosis. Also available orally to treat symptoms of dry mouth associated with Sjogren's syndrome and radiotherapy. | CYTOCHROME P450 2E1 (Homo sapiens) | p450 | ||
| 3tmz | 06X | Amlodipine (DB00381) | Amlodipine is a calcium channel blocker used to treat hypertension and angina. | CYTOCHROME P450 2B4 (Oryctolagus cuniculus) | p450 | ||
| 3ua1 | 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. | CYTOCHROME P450 3A4 (Homo sapiens) | p450 | ||
| 3ua5 | 06X | Amlodipine (DB00381) | Amlodipine is a calcium channel blocker used to treat hypertension and angina. | CYTOCHROME P450 2B6 (Homo sapiens) | p450 | ||
| 4dtz | LDP | Dopamine (DB00988) | Dopamine is a catecholamine neurotransmitter used to treat hemodynamic imbalances, poor perfusion of vital organs, low cardiac output, and hypotension. | CYTOCHROME P450 BM3 VARIANT 8C8 (Bacillus megaterium) | p450 | ||
| 4ejj | 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 2A6 (Homo sapiens) | p450 | ||
| 4h1n | CGE | Clopidogrel (DB00758) | Clopidogrel is an antiplatelet agent used to prevent blood clots in peripheral vascular disease, coronary artery disease, and cerebrovascular disease. | CYTOCHROME P450 2B4 (Oryctolagus cuniculus) | p450 | ||
| 4j6b | PLO | Pregnenolone (DB02789) | A 21-carbon steroid, derived from cholesterol and found in steroid hormone-producing tissues. Pregnenolone is the precursor to gonadal steroid hormones and the adrenal corticosteroids. | CYTOCHROME P450 MONOOXYGENASE (Nocardia farcinica) | p450 | ||
| 4j6c | STR | Progesterone (DB00396) | Progesterone is a hormone used for a variety of functions, including contraception, control of abnormal uterine bleeding, maintenance of pregnancy, and prevention of endometrial hyperplasia. | CYTOCHROME P450 MONOOXYGENASE (Nocardia farcinica) | p450 | ||
| 4j6d | TES | Testosterone (DB00624) | Testosterone is a hormone used to treat hypogonadism, breast carcinoma in women, or the vasomotor symptoms of menopause. | CYTOCHROME P450 MONOOXYGENASE (Nocardia farcinica) | p450 | ||
| 4jlt | 8PR | Paroxetine (DB00715) | Paroxetine is a selective serotonin reuptake inhibitor used to treat major depressive disorder, panic disorder, OCD, social phobia, generalized anxiety disorder, the vasomotor symptoms of menopause, and premenstrual dysphoric disorder. | CYTOCHROME P450 2B4 (Oryctolagus cuniculus) | p450 | ||
| 4r20 | AER | Abiraterone (DB05812) | Abiraterone is an antiandrogen used in the treatment of prostate cancer. | CYTOCHROME P450 FAMILY 17 POLYPEPTIDE 2 (Danio rerio) | p450 | ||
| 4r21 | STR | Progesterone (DB00396) | Progesterone is a hormone used for a variety of functions, including contraception, control of abnormal uterine bleeding, maintenance of pregnancy, and prevention of endometrial hyperplasia. | CYTOCHROME P450 FAMILY 17 POLYPEPTIDE 2 (Danio rerio) | p450 | ||
| 4wnu | QDN | Quinidine (DB00908) | Quinidine is a medication used to restore normal sinus rhythm, treat atrial fibrillation and flutter, and treat ventricular arrhythmias. | CYTOCHROME P450 2D6 (Homo sapiens) | p450 | ||
| 4wnv | QI9 | Quinine (DB00468) | Quinine is an alkaloid used to treat uncomplicated Plasmodium falciparum malaria. | CYTOCHROME P450 2D6 (Homo sapiens) | NA | ||
| 4y8w | STR | Progesterone (DB00396) | Progesterone is a hormone used for a variety of functions, including contraception, control of abnormal uterine bleeding, maintenance of pregnancy, and prevention of endometrial hyperplasia. | CYTOCHROME P450 21-HYDROXYLASE (Homo sapiens) | NA | ||
| 5a1r | STR | Progesterone (DB00396) | Progesterone is a hormone used for a variety of functions, including contraception, control of abnormal uterine bleeding, maintenance of pregnancy, and prevention of endometrial hyperplasia. | CYTOCHROME P450 3A4 (Homo sapiens) | p450 | ||
| 5g5j | MF8 | Metformin (DB00331) | Metformin is a biguanide drug used in conjunction with diet and exercise for glycemic control in type 2 diabetes mellitus and used off-label for insulin resistance in polycystic ovary syndrome (PCOS). | CYTOCHROME P450 3A4 (Homo sapiens) | p450 | ||
| 5l94 | TES | Testosterone (DB00624) | Testosterone is a hormone used to treat hypogonadism, breast carcinoma in women, or the vasomotor symptoms of menopause. | CYTOCHROME P450 (Bacillus megaterium (strain dsm 319)) | p450 | ||
| 5li8 | KKK | Ketoconazole (DB01026) | Ketoconazole is a broad spectrum antifungal used to treat seborrheic dermatitis and fungal skin infections. | PUTATIVE CYTOCHROME P450 126 (Mycobacterium tuberculosis (strain cdc 1551 / oshkosh)) | p450 | ||
| 5ncb | JZ3 | Guaiacol (DB11359) | Guaiacol is an agent thought to have disinfectant properties and used as an expectorant. Guaiacol is a phenolic natural product first isolated from Guaiac resin and the oxidation of lignin.... | CYTOCHROME P450 (Amycolatopsis sp. atcc 39116) | p450 | ||
| 5te8 | 08J | Midazolam (DB00683) | Midazolam is a short-acting injectable benzodiazepine with rapid onset that is commonly used in seizures, anesthesia and anxiety disorders. | CYTOCHROME P450 3A4 (Homo sapiens) | p450 | ||
| 5veu | RIT | Ritonavir (DB00503) | Ritonavir is an HIV protease inhibitor used in combination with other antivirals in the treatment of HIV infection. | CYTOCHROME P450 3A5 (Homo sapiens) | p450 | ||
| 5x23 | LSN | Losartan (DB00678) | Losartan is an angiotensin receptor blocker used to treat hypertension and diabetic nephropathy, and is used to reduce the risk of stroke. | CYTOCHROME P450 2C9 (Homo sapiens) | p450 | ||
| 6a7j | TES | Testosterone (DB00624) | Testosterone is a hormone used to treat hypogonadism, breast carcinoma in women, or the vasomotor symptoms of menopause. | CYTOCHROME P450 (Streptomyces violaceoruber) | p450 | ||
| 6b82 | AER | Abiraterone (DB05812) | Abiraterone is an antiandrogen used in the treatment of prostate cancer. | CYTOCHROME P450, FAMILY 17, SUBFAMILY A, POLYPEPTIDE 1 (Danio rerio) | p450 | ||
| 6dwn | AQ4 | Erlotinib (DB00530) | Erlotinib is an EGFR tyrosine kinase inhibitor used to treat certain small cell lung cancers or advanced metastatic pancreatic cancers. | CYTOCHROME P450 1A1 (Homo sapiens) | p450 | ||
| 6f88 | STR | Progesterone (DB00396) | Progesterone is a hormone used for a variety of functions, including contraception, control of abnormal uterine bleeding, maintenance of pregnancy, and prevention of endometrial hyperplasia. | CYTOCHROME P450 CYP260A1 (Sorangium cellulosum (strain so ce56)) | p450 | ||
| 6h1l | FJQ | Tioconazole (DB01007) | Tioconazole is an imidazole antifungal used to treat vulvovaginal candidiasis. | BIFUNCTIONAL CYTOCHROME P450/NADPH--P450 REDUCTASE (Bacillus megaterium) | p450 | ||
| 6h1o | VOR | Voriconazole (DB00582) | Voriconazole is a triazole compound used to treat fungal infections. | BIFUNCTIONAL CYTOCHROME P450/NADPH--P450 REDUCTASE (Bacillus megaterium) | p450 | ||
| 6h1s | TPF | Fluconazole (DB00196) | Fluconazole is a triazole antifungal used to treat various fungal infections including candidiasis. | BIFUNCTIONAL CYTOCHROME P450/NADPH--P450 REDUCTASE (Bacillus megaterium) | p450 | ||
| 6h1t | CL6 | Clotrimazole (DB00257) | Clotrimazole is a topical broad-spectrum antifungal agent used for the treatment of a wide variety of dermatophyte infections and candidiasis. | BIFUNCTIONAL CYTOCHROME P450/NADPH--P450 REDUCTASE (Bacillus megaterium) | p450 | ||
| 6l3a | E53 | Everolimus (DB01590) | Everolimus is a mammalian target of rapamycin (mTOR) kinase inhibitor used to treat various types of malignancies. | CYTOCHROME P450 (Streptomyces rapamycinicus (strain atcc 29253 / dsm 41530 / nrrl 5491 / ayb-994)) | p450 | ||
| 6ly4 | TES | Testosterone (DB00624) | Testosterone is a hormone used to treat hypogonadism, breast carcinoma in women, or the vasomotor symptoms of menopause. | BIFUNCTIONAL CYTOCHROME P450/NADPH--P450 REDUCTASE (Bacillus megaterium (strain atcc 14581 / dsm 32 / jcm 2506 / nbrc 15308 / ncimb 9376 / nctc 10342 / vkm b-512)) | p450 | ||
| 6ma6 | MYT | Metyrapone (DB01011) | Metyrapone is a steroid 11-beta-monooxygenase inhibitor used to test hypothalamic-pituitary ACTH function. | CYTOCHROME P450 3A4 (Homo sapiens) | p450 | ||
| 6ma7 | TPF | Fluconazole (DB00196) | Fluconazole is a triazole antifungal used to treat various fungal infections including candidiasis. | CYTOCHROME P450 3A4 (Homo sapiens) | p450 | ||
| 6oyv | EST | Estradiol (DB00783) | Estradiol is an estrogenic steroid used to treat vasomotor symptoms of vulvar and vaginal atrophy in menopause, hypoestrogenism, prevention of postmenopausal osteoporosis, treatment of breast cancer, and advanced androgen-dependent carcinoma of the prostate. | CYTOCHROME P450 1B1 (Synthetic construct) | NA | ||
| PDB | Ligand | Drug | Indication | Macromolecule/ Organism |
Pfam | Binding_Interfaces (View) | Details |