BioLiP

PDB

BioLiP

PDB CCD ID:

2NZ

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O

InChI:

InChI=1S/C10H10N2O/c1-8(13)6-12-7-11-9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3

InChIKey:

LKIVJBZMVMCCCL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(=O)Cn1cnc2c1cccc2
CACTVS 3.385	CC(=O)Cn1cnc2ccccc12
ACDLabs 12.01	O=C(C)Cn1c2ccccc2nc1

Name:

1-(1H-benzimidazol-1-yl)propan-2-one

ZINC:

ZINC000034979991

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).