SEQ2FUN

BioLiP

PDB CCD ID: N4N
Number of entries in BioLiP: 3
Chemical formula: C15 H11 N3 O2 S
InChI: InChI=1S/C15H11N3O2S/c19-14(20)10-4-3-5-11(8-10)17-15-18-13(9-21-15)12-6-1-2-7-16-12/h1-9H,(H,17,18)(H,19,20)
InChIKey: AHNQVGWWBKRTON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(Nc2scc(n2)c3ccccn3)c1
OpenEye OEToolkits 2.0.7c1ccnc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O
Name:3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
ChEMBL: CHEMBL4647986
ZINC: ZINC000000088261
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).