BioLiP

PDB

BioLiP

PDB CCD ID:

EVE

Number of entries in BioLiP:

Chemical formula:

C7 H7 N3 O2 S

InChI:

InChI=1S/C7H7N3O2S/c8-13(11,12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H2,8,11,12)

InChIKey:

XRGHQBXKSHAQRB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(c2nc1ccccc1n2)N
OpenEye OEToolkits 1.7.2	c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N
CACTVS 3.370	N[S](=O)(=O)c1[nH]c2ccccc2n1

Name:

1H-benzimidazole-2-sulfonamide

ZINC:

ZINC000006490906

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).