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BioLiP

PDB CCD ID: 06Z
Number of entries in BioLiP: 1
Chemical formula: C16 H12 F N3 O S
InChI: InChI=1S/C16H12FN3OS/c17-11-7-4-8-12(9-11)19-16-20-15(18)14(22-16)13(21)10-5-2-1-3-6-10/h1-9H,18H2,(H,19,20)
InChIKey: CGDCHWZCEONCMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N
CACTVS 3.370Nc1nc(Nc2cccc(F)c2)sc1C(=O)c3ccccc3
ACDLabs 12.01Fc3cc(Nc1nc(c(s1)C(=O)c2ccccc2)N)ccc3
Name:{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
ChEMBL: CHEMBL2377846
ZINC: ZINC000001423554
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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