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BioLiP

PDB CCD ID: HQ3
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cnc(n1Cc2ccccc2)C(=O)O
CACTVS 3.385Cc1cnc(n1Cc2ccccc2)C(O)=O
Name:5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
ChEMBL: CHEMBL5201405
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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