BioLiP

PDB

BioLiP

PDB CCD ID:

A1A1X

Number of entries in BioLiP:

Chemical formula:

C16 H17 N5 O

InChI:

InChI=1S/C16H17N5O/c1-2-11-7-8-14(18-9-11)20-15(22)10-21-13-6-4-3-5-12(13)19-16(21)17/h3-9H,2,10H2,1H3,(H2,17,19)(H,18,20,22)

InChIKey:

DDGFJCBIYRJVAU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CCc1ccc(nc1)NC(=O)Cn1c2ccccc2nc1N
OpenEye OEToolkits 2.0.7	CCc1ccc(nc1)NC(=O)Cn2c3ccccc3nc2N
CACTVS 3.385	CCc1ccc(NC(=O)Cn2c(N)nc3ccccc23)nc1

Name:

2-(2-amino-1H-1,3-benzimidazol-1-yl)-N-(5-ethylpyridin-2-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).