SEQ2FUN

BioLiP

PDB CCD ID: PQP
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N2 O2
InChI: InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14)
InChIKey: LFIDZIWWYNTQOQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(cc1)n2ccnc2
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)O)n2ccnc2
ACDLabs 12.01c1cn(cn1)c2ccc(C(O)=O)cc2
Name:4-(1H-imidazol-1-yl)benzoic acid
ChEMBL: CHEMBL4543910
ZINC: ZINC000000158888
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).