SEQ2FUN

BioLiP

PDB CCD ID: SQP
Number of entries in BioLiP: 1
Chemical formula: C13 H11 N O2
InChI: InChI=1S/C13H11NO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,14H2,(H,15,16)
InChIKey: DHTPJFVSTBGVFV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(cc1)c2ccccc2C(O)=O
OpenEye OEToolkits 2.0.6c1ccc(c(c1)c2ccc(cc2)N)C(=O)O
Name:2-(4-aminophenyl)benzoic acid
ZINC: ZINC000001233107
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).