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BioLiP

PDB CCD ID: 1A3
Number of entries in BioLiP: 1
Chemical formula: C16 H14 N2 O3 S2
InChI: InChI=1S/C16H14N2O3S2/c19-16-17-15(10-22-16)13-7-4-8-14(9-13)18-23(20,21)11-12-5-2-1-3-6-12/h1-10,18H,11H2,(H,17,19)
InChIKey: UZACLOFDRFURFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3
ACDLabs 12.01O=C3SC=C(c2cc(NS(=O)(=O)Cc1ccccc1)ccc2)N3
CACTVS 3.370O=C1NC(=CS1)c2cccc(N[S](=O)(=O)Cc3ccccc3)c2
Name:N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
ChEMBL: CHEMBL2349347
ZINC: ZINC000095605554

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).
  • 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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