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BioLiP

PDB CCD ID: BNK
Number of entries in BioLiP: 1
Chemical formula: C14 H15 Cl N2 O3 S2
InChI: InChI=1S/C14H15ClN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18)
InChIKey: PBWTZCXFWIEPCV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(cc1[S](=O)(=O)NC2CCCC2)C3=CSC(=O)N3
ACDLabs 12.01O=C3SC=C(c1cc(c(Cl)cc1)S(=O)(=O)NC2CCCC2)N3
OpenEye OEToolkits 1.7.6c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl
Name:2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
ChEMBL: CHEMBL3409994
ZINC: ZINC000263620872

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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