SEQ2FUN

BioLiP

PDB CCD ID: EHR
Number of entries in BioLiP: 1
Chemical formula: C19 H15 N O2
InChI: InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
InChIKey: YKXRPQKGOAZEFQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccccc1Nc2ccccc2c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccccc2Nc3ccccc3C(=O)O
Name:2-[(2-phenylphenyl)amino]benzoic acid
ChEMBL: CHEMBL4641484
ZINC: ZINC000026897417
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).