BioLiP

PDB

BioLiP

PDB CCD ID:

UVJ

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3 O

InChI:

InChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)

InChIKey:

HZTUIHZIQKFSIL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1nc2ccccc2n1CCC(N)=O
OpenEye OEToolkits 2.0.7	Cc1nc2ccccc2n1CCC(=O)N
ACDLabs 12.01	n2(c1ccccc1nc2C)CCC(N)=O

Name:

3-(2-methyl-1H-benzimidazol-1-yl)propanamide

ZINC:

ZINC000000560684

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).