SEQ2FUN

BioLiP

PDB CCD ID: 4FF
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N2 O2
InChI: InChI=1S/C11H10N2O2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey: NEDPOZZCAYIDNP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1Cc1c(nc([nH]1)c2ccccc2)C(=O)O
ACDLabs 10.04O=C(O)c2nc(c1ccccc1)nc2C
CACTVS 3.352Cc1[nH]c(nc1C(O)=O)c2ccccc2
Name:5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID
ChEMBL: CHEMBL1230279
ZINC: ZINC000005116121
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).