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BioLiP Library

PDB CCD ID: 94Y
Number of entries in BioLiP: 8
Chemical formula: C10 H6 Br Cl2 N3 O3 S2
InChI: InChI=1S/C10H6BrCl2N3O3S2/c11-8-4-14-10(20-8)15-9(17)16-21(18,19)5-1-2-6(12)7(13)3-5/h1-4H,(H2,14,15,16,17)
InChIKey: POUXHUUOMBBCQP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Cl
ACDLabs 12.01C(=O)(NS(c1cc(c(cc1)Cl)Cl)(=O)=O)Nc2sc(Br)cn2
CACTVS 3.385Clc1ccc(cc1Cl)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide
ZINC: ZINC000114922102
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)(download the PDF file).
  • 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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