BioLiP

PDB

BioLiP

PDB CCD ID:

CWM

Number of entries in BioLiP:

Chemical formula:

C8 H8 N2 O

InChI:

InChI=1S/C8H8N2O/c1-5-9-6-3-2-4-7(11)8(6)10-5/h2-4,11H,1H3,(H,9,10)

InChIKey:

HLPAESMITTURFN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1[nH]c2c(O)cccc2n1
ACDLabs 12.01	c1c(O)c2nc(C)nc2cc1
OpenEye OEToolkits 2.0.6	Cc1[nH]c2c(n1)cccc2O

Name:

2-methyl-1H-benzimidazol-7-ol

ZINC:

ZINC000076209601

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).