SEQ2FUN

BioLiP

PDB CCD ID: GAB
Number of entries in BioLiP: 15
Chemical formula: C7 H7 N O2
InChI: InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey: XFDUHJPVQKIXHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc(c1)N)C(=O)O
CACTVS 3.341Nc1cccc(c1)C(O)=O
ACDLabs 10.04O=C(O)c1cc(N)ccc1
Name:3-AMINOBENZOIC ACID;
GABACULINE
ChEMBL: CHEMBL307782
DrugBank: DB02054
ZINC: ZINC000000388179
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).