BioLiP

PDB

BioLiP

PDB CCD ID:

T1U

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O

InChI:

InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-9(11)6-12/h2-5,12H,6H2,1H3

InChIKey:

SQRSIOZFPSFABI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1c(CO)nc2ccccc12
ACDLabs 12.01	OCc1nc2ccccc2n1C
OpenEye OEToolkits 2.0.7	Cn1c2ccccc2nc1CO

Name:

(1-methyl-1H-benzimidazol-2-yl)methanol

ZINC:

ZINC000000305703

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).