BioLiP

PDB

BioLiP

PDB CCD ID:

II9

Number of entries in BioLiP:

Chemical formula:

C22 H19 N5 O2

InChI:

InChI=1S/C22H19N5O2/c1-13-7-6-10-16(24-13)22(29)27-17-12-19-18(11-15(17)21(28)23-2)25-20(26-19)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,23,28)(H,25,26)(H,27,29)

InChIKey:

FEZUIXBPOZHUAQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNC(=O)c1cc2nc([nH]c2cc1NC(=O)c3cccc(C)n3)c4ccccc4
OpenEye OEToolkits 2.0.7	Cc1cccc(n1)C(=O)Nc2cc3c(cc2C(=O)NC)nc([nH]3)c4ccccc4
ACDLabs 12.01	Cc1cccc(n1)C(=O)Nc1cc2[NH]c(nc2cc1C(=O)NC)c1ccccc1

Name:

N-methyl-6-[(6-methylpyridine-2-carbonyl)amino]-2-phenyl-1H-benzimidazole-5-carboxamide

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).