Common name
BLAH
IUPAC name
BLAH
SMILES
S(=O)O
Common name
BLAH
IUPAC name
BLAH
SMILES
S(=O)O
INCHI
InChI=1S/HO2S/c1-3-2/h(H,1,2)
FORMULA
HO2S
Common name
BLAH
IUPAC name
BLAH
Molecular weight
66.080
clogP
-2.569
clogS
0.833
Frequency
0.0244
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00722 | Vardenafil |
|
Vasodilator Agents; Phosphodiesterase 5 Inhibitors; Anti-Impotence Agents; Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors; | Used for the treatment of erectile dysfunction. |
| FDBD00768 | Tinidazole |
|
Antiprotozoal Agents; Anti-Infective Agents; Alkylating Agents; Antitrichomonal Agents; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Imidazole Derivatives; Nitroimidazole Derivatives; CYP3A4 Inhibitors; | For the treatment of trichomoniasis caused by . |
| FDBD00775 | Almotriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of acute migraine headache in adults. |
| FDBD00787 | Tipranavir |
|
Anti-HIV Agents; Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For combination antiretroviral treatment of HIV-1 infected adult patients with evidence of viral replication, who are highly treatment-experienced or have HIV-1 strains resistant to multiple protease inhibitors. |
| FDBD00807 | Naratriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; | For the acute treatment of migraine attacks with or without aura in adults. |
| FDBD00885 | Probenecid |
|
Adjuvants, Pharmaceutic; Uricosuric Agents; Musculo-Skeletal System; Antigout Preparations; Preparations Increasing Uric Acid Excretion; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For the reduction of serum uric acid concentrations in chronic gouty arthritis and tophaceous gout in patients with frequent disabling gout attacks. Has also been effectively used to promote uric acid excretion in hyperuricemia secondary to the administration of thiazide and related diuretics. |
| FDBD00977 | Bicalutamide |
|
Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; Anti-Androgens; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For treatment (together with surgery or LHRH analogue) of advanced prostatic cancer. |
| FDBD00993 | Sulfoxone |
|
Anti-Infective Agents; Sulfonamides; | For the treatment of leprosy and dermatitis herpetiformis. |
| FDBD01106 | Darunavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Darunavir, co-administered with ritonavir, and with other antiretroviral agents, is indicated for the treatment of human immunodeficiency virus (HIV) infection in antiretroviral treatment-experienced adult patients, such as those with HIV-1 strains resistant to more than one protease inhibitor. |
| FDBD01127 | Fosamprenavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Prodrugs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Indicated in combination with other antiretroviral agents for the treatment of human immunodeficiency virus (HIV-1) infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. The use of fosamprenavir is pending revision due to a potential association between the drug and myocardial infarction and dyslipidemia in HIV infected adults. |
71 ,
8
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pjt_ligand_frag_4.mol2 | 2pjt | 1 | -5.21 | S(=O)O | 3 |
| 1tqf_ligand_frag_1.mol2 | 1tqf | 1 | -5.15 | S(=O)O | 3 |
| 3b8z_ligand_frag_5.mol2 | 3b8z | 1 | -5.15 | S(=O)O | 3 |
| 3hd3_ligand_frag_0.mol2 | 3hd3 | 1 | -5.15 | O=SO | 3 |
| 2i47_ligand_frag_4.mol2 | 2i47 | 1 | -5.14 | S(=O)O | 3 |
| 2viy_ligand_frag_8.mol2 | 2viy | 1 | -5.14 | S(=O)O | 3 |
| 3b92_ligand_frag_4.mol2 | 3b92 | 1 | -5.13 | O=SO | 3 |
| 966c_ligand_frag_3.mol2 | 966c | 1 | -5.12 | S(=O)O | 3 |
| 2hh5_ligand_frag_0.mol2 | 2hh5 | 1 | -5.11 | OS=O | 3 |
143 ,
15
