SEQ2FUN

BioLiP

PDB CCD ID: G14
Number of entries in BioLiP: 3
Chemical formula: C10 H8 N2 O2
InChI: InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChIKey: XCAXKZJNJCKTQH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)c2nc(c1ccccc1)nc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2[nH]cc(n2)C(=O)O
CACTVS 3.341OC(=O)c1c[nH]c(n1)c2ccccc2
Name:2-phenyl-1H-imidazole-4-carboxylic acid
ChEMBL: CHEMBL1232889
DrugBank: DB07803
ZINC: ZINC000000164985
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).