BioLiP

PDB

BioLiP

PDB CCD ID:

GTJ

Number of entries in BioLiP:

Chemical formula:

C13 H17 N3 O

InChI:

InChI=1S/C13H17N3O/c1-3-9-16-11-8-6-5-7-10(11)14-13(16)15-12(17)4-2/h5-8H,3-4,9H2,1-2H3,(H,14,15,17)

InChIKey:

KFQGOQCGYCFOQG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCn1c2ccccc2nc1NC(=O)CC
CACTVS 3.385	CCCn1c(NC(=O)CC)nc2ccccc12

Name:

~{N}-(1-propylbenzimidazol-2-yl)propanamide

ZINC:

ZINC000000274846

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).