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BioLiP

PDB CCD ID: UKG
Number of entries in BioLiP: 2
Chemical formula: C11 H7 Br Cl N5 O2 S2
InChI: InChI=1S/C11H7BrClN5O2S2/c12-8-5-9(21-10(8)13)22(19,20)16-7-3-1-2-6(4-7)11-14-17-18-15-11/h1-5,16H,(H,14,15,17,18)
InChIKey: LKCZAUKSYHEDJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH]nnn3
OpenEye OEToolkits 2.0.7c1cc(cc(c1)NS(=O)(=O)c2cc(c(s2)Cl)Br)c3[nH]nnn3
Name:4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-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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