BioLiP

PDB

BioLiP

PDB CCD ID:

A1AQI

Number of entries in BioLiP:

Chemical formula:

C10 H13 N3

InChI:

InChI=1S/C10H13N3/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3,(H2,11,12)

InChIKey:

UDJSHISPNDRJNE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CC(C)n1c2ccccc2nc1N
CACTVS 3.385	CC(C)n1c(N)nc2ccccc12

Name:

1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine

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).