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 |
|---|---|---|---|---|
| FDBD00091 | Sildenafil |
|
Vasodilator Agents; Phosphodiesterase 5 Inhibitors; Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Cytochrome P-450 CYP2C9 Inhibitors; Urological Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of erectile dysfunction and to relieve symptoms of pulmonary arterial hypertension (PAH). |
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD00104 | Eletriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the acute treatment of migraine with or without aura in adults. |
| FDBD00138 | Dapsone |
|
Antimalarials; Folic Acid Antagonists; Anti-Infective Agents; Leprostatic Agents; Anti-Acne Preparations; Antimycobacterials; Antiinfectives for Systemic Use; Dermatologicals; Anti-Acne Preparations for Topical Use; Drugs for Treatment of Lepra; 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; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment and management of leprosy and dermatitis herpetiformis. |
| FDBD00165 | Argatroban |
|
Antithrombins; Platelet Aggregation Inhibitors; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; CYP3A4 Inhibitors; | Argatroban is indicated for prevention and treatment of thrombosis caused by heparin induced thrombocytopenia (HIT). It is also indicated for use in patients with, or at risk for, HIT who are undergoing percutaneous coronary intervention. |
| FDBD00248 | Sucralfate |
|
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; | For the short-term treatment (up to 8 weeks) of active duodenal ulcer, as well as maintenance therapy for duodenal ulcer patients at reduced dosage (1 gram twice a day) after healing of acute ulcers. Also used for the short-term treatment of gastric ulcer. |
| FDBD00534 | Sumatriptan |
|
Vasoconstrictor Agents; Analgesics; Serotonin Antagonists; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; | For the treatment of migraine attacks with or without aura. |
| FDBD00566 | Amprenavir |
|
Anti-HIV Agents; Antibiotics, Antitubercular; Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; 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; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of HIV-1 infection in combination with other antiretroviral agents. |
| FDBD00638 | Tirofiban |
|
Fibrinolytic Agents; Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; | For treatment, in combination with heparin, of acute coronary syndrome, including patients who are to be managed medically and those undergoing PTCA or atherectomy. |
| FDBD00657 | Sulfasalazine |
|
Antirheumatic Agents; Anti-Inflammatory Agents, Non-Steroidal; Gastrointestinal Agents; Anti-Infective Agents; Sulfonamides; Alimentary Tract and Metabolism; Aminosalicylic Acid and Similar Agents; Intestinal Antiinflammatory Agents; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; | For the treatment of Crohn's disease and rheumatoid arthritis as a second-line agent. |
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
