SEQ2FUN

BioLiP

PDB CCD ID: 4A3
Number of entries in BioLiP: 16
Chemical formula: C7 H7 N O3
InChI: InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)
InChIKey: NFPYJDZQOKCYIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1ccc(cc1O)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C(=O)O)O)N
ACDLabs 10.04O=C(O)c1cc(O)c(N)cc1
Name:4-AMINO-3-HYDROXYBENZOIC ACID
ChEMBL: CHEMBL1462
ZINC: ZINC000000156556
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).