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BioLiP

PDB CCD ID: X6B
Number of entries in BioLiP: 1
Chemical formula: C16 H14 F N5 O3 S2
InChI: InChI=1S/C16H14FN5O3S2/c17-9-2-1-3-11(8-9)20-15(23)13-14(18)22-16(26-13)21-10-4-6-12(7-5-10)27(19,24)25/h1-8H,18H2,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKey: UERTXDNWFMBKLO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc1cccc(c1)NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
OpenEye OEToolkits 1.7.0c1cc(cc(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
CACTVS 3.370Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc3cccc(F)c3
Name:4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
ZINC: ZINC000095920714
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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