SEQ2FUN

BioLiP

PDB CCD ID: 3AZ
Number of entries in BioLiP: 0
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey: GSWYUZQBLVUEPH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCc1cccc(c1)C(O)=O
ACDLabs 12.01O=C(O)c1cccc(c1)CN
OpenEye OEToolkits 1.7.0c1cc(cc(c1)C(=O)O)CN
Name:3-(aminomethyl)benzoic acid
ChEMBL: CHEMBL133384
ZINC: ZINC000004202416
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).