BioLiP

PDB

BioLiP

PDB CCD ID:

OHG

Number of entries in BioLiP:

Chemical formula:

C5 H8 N2 O

InChI:

InChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3,(H,6,7)

InChIKey:

MQRMTENGXFRETM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1[nH]cc(n1)CO
CACTVS 3.385	Cc1[nH]cc(CO)n1
ACDLabs 12.01	Cc1nc(cn1)CO

Name:

(2-methyl-1H-imidazol-4-yl)methanol

ZINC:

ZINC000012336500

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).