BioLiP

PDB

BioLiP

PDB CCD ID:

HQ3

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2 O2

InChI:

InChI=1S/C12H12N2O2/c1-9-7-13-11(12(15)16)14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)

InChIKey:

XEZPQNRXMLVHHC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cnc(n1Cc2ccccc2)C(=O)O
CACTVS 3.385	Cc1cnc(n1Cc2ccccc2)C(O)=O

Name:

5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid

ChEMBL:

CHEMBL5201405

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).