BioLiP

PDB

BioLiP

PDB CCD ID:

IZT

Number of entries in BioLiP:

Chemical formula:

C22 H22 N4 O4 S

InChI:

InChI=1S/C22H22N4O4S/c1-24-19-12-11-16(13-20(19)25(2)22(24)28)23-21(27)14-26(31(3,29)30)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,14H2,1-3H3,(H,23,27)

InChIKey:

OQWBGGOCJAGEOY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1c2ccc(cc2N(C1=O)C)NC(=O)CN(c3cccc4c3cccc4)S(=O)(=O)C
CACTVS 3.385	CN1C(=O)N(C)c2cc(NC(=O)CN(c3cccc4ccccc34)[S](C)(=O)=O)ccc12
ACDLabs 12.01	CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)N(C)C(=O)N2C)c1cccc2ccccc21

Name:

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-N~2~-(methanesulfonyl)-N~2~-naphthalen-1-ylglycinamide

ZINC:

ZINC000013566747

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).