BioLiP

PDB

BioLiP

PDB CCD ID:

Q8O

Number of entries in BioLiP:

Chemical formula:

C15 H14 N4 O

InChI:

InChI=1S/C15H14N4O/c1-10-4-5-16-8-14(10)19-15(20)7-11-2-3-12-13(6-11)18-9-17-12/h2-6,8-9H,7H2,1H3,(H,17,18)(H,19,20)

InChIKey:

NKCRZXILCCSPCY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccncc1NC(=O)Cc2ccc3nc[nH]c3c2
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)Cc2ccc3c(c2)[nH]cn3
ACDLabs 12.01	Cc1ccncc1NC(=O)Cc1ccc2nc[NH]c2c1

Name:

2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide

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).