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| Ligand Name: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1317 |
PubChem:
5289377
|
Synonym(s):
- 497258-67-0
- sm23
- chembl257468
- schembl1624747
- dtxsid20415359
- bdbm152694
- db08551
- q27097751
- (r)-3-(borono(2-(thiophen-2-yl)acetamido)methyl)benzoic acid
- 3-[(r)-borono-[[2-(2-thienyl)acetyl]amino]methyl]benzoic acid
- 3-{(r)-(dihydroxyboryl)[(2-thienylacetyl)amino]methyl}benzoic acid
- [(alphar)-alpha-[(2-thienyl)acetylamino]-3-carboxybenzyl]boronic acid
- 3-{(r)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}benzoic acid
show 12 synonym(s)
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| DrugBank: DB08551 |
ChEMBL: CHEMBL257468 |
| Canonical SMILES: OB(O)[C@@H](NC(=O)Cc1cccs1)c1cccc(c1)C(O)=O |
| Standard InChI: InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1 |
| Molecular Formula: C14H14BNO5S |
Mol. Weight: 319.06857 |
logP: 0.8583 |
| HBD: 4 | HBA: 5 |
| #Rotatable Bonds: 6 | TPSA: 106.86 |