SEQ2FUN

BioLiP

PDB CCD ID: VBC
Number of entries in BioLiP: 4
Chemical formula: C13 H11 N O2
InChI: InChI=1S/C13H11NO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,14H2,(H,15,16)
InChIKey: AZMVFOPKHNNXDO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cc(c1)C(=O)O)c2ccc(cc2)N
CACTVS 3.385Nc1ccc(cc1)c2cccc(c2)C(O)=O
Name:3-(4-aminophenyl)benzoic acid
ChEMBL: CHEMBL371115
ZINC: ZINC000002522309
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).