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BioLiP

PDB CCD ID: 6CC
Number of entries in BioLiP: 3
Chemical formula: C9 H8 Cl N3 O2 S2
InChI: InChI=1S/C9H8ClN3O2S2/c10-6-2-1-5(3-8(6)17(12,14)15)7-4-16-9(11)13-7/h1-4H,(H2,11,13)(H2,12,14,15)
InChIKey: YZFWRSMMUCDYLX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1scc(n1)c2ccc(Cl)c(c2)[S](N)(=O)=O
OpenEye OEToolkits 2.0.4c1cc(c(cc1c2csc(n2)N)S(=O)(=O)N)Cl
ACDLabs 12.01c2c(c1cc(c(Cl)cc1)S(=O)(=O)N)nc(N)s2
Name:5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide
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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