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| Ligand Name: 4-(dihydroxyboranyl)-2-[[4-(phenylsulfonyl)thiophen-2-yl]sulfonylamino]benzoic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB621 |
PubChem:
46890069
|
Synonym(s):
- 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid
- chembl1084081
- db07541
- q27096763
- 3-(4-benzenesulfonyl-thiophene-2-sulfonylamino)-4-carboxy-phenylboronic acid
show 4 synonym(s)
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| DrugBank: DB07541 |
ChEMBL: CHEMBL1084081 |
| Canonical SMILES: OB(O)c1ccc(C(O)=O)c(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1 |
| Standard InChI: InChI=1S/C17H14BNO8S3/c20-17(21)14-7-6-11(18(22)23)8-15(14)19-30(26,27)16-9-13(10-28-16)29(24,25)12-4-2-1-3-5-12/h1-10,19,22-23H,(H,20,21) |
| Molecular Formula: C17H14BNO8S3 |
Mol. Weight: 466.99747 |
logP: 0.7597 |
| HBD: 4 | HBA: 8 |
| #Rotatable Bonds: 7 | TPSA: 158.07 |