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BioLiP

PDB CCD ID: S1G
Number of entries in BioLiP: 1
Chemical formula: C14 H13 N O2
InChI: InChI=1S/C14H13NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
InChIKey: NYNAMTQEBMCHNG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(NCc2ccccc2)cc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)CNc2ccc(cc2)C(=O)O
Name:4-[(phenylmethyl)amino]benzoic acid
ChEMBL: CHEMBL32051
ZINC: ZINC000000392253
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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