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BioLiP Library

PDB CCD ID: 6LK
Number of entries in BioLiP: 1
Chemical formula: C16 H15 Cl N4 O4 S
InChI: InChI=1S/C16H15ClN4O4S/c1-9-12-6-10(15(22)20-26(3,23)24)4-5-14(12)21(19-9)11-7-13(17)16(25-2)18-8-11/h4-8H,1-3H3,(H,20,22)
InChIKey: SOMKDSWCLVBQLT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1c(cc(Cl)c(OC)n1)n2nc(C)c3cc(ccc23)C(NS(C)(=O)=O)=O
OpenEye OEToolkits 2.0.4Cc1c2cc(ccc2n(n1)c3cc(c(nc3)OC)Cl)C(=O)NS(=O)(=O)C
CACTVS 3.385COc1ncc(cc1Cl)n2nc(C)c3cc(ccc23)C(=O)N[S](C)(=O)=O
Name:1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide
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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