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BioLiP

PDB CCD ID: P5W
Number of entries in BioLiP: 1
Chemical formula: C16 H12 N2 O2 S
InChI: InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
InChIKey: UGLHSEDBIJMFOC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(Nc2scc(n2)c3ccccc3)cc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O
Name:4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
ChEMBL: CHEMBL1621959
ZINC: ZINC000000446531
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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