SEQ2FUN

BioLiP

PDB CCD ID: 1CW
Number of entries in BioLiP: 1
Chemical formula: C7 H7 N O3
InChI: InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)
InChIKey: IQGMRVWUTCYCST-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)N)O)C(=O)O
CACTVS 3.370Nc1cccc(C(O)=O)c1O
ACDLabs 12.01O=C(O)c1cccc(N)c1O
Name:3-amino-2-hydroxybenzoic acid
ChEMBL: CHEMBL1650630
ZINC: ZINC000000088619
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).