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BioLiP

PDB CCD ID: WOR
Number of entries in BioLiP: 1
Chemical formula: C11 H18 N2 O3 S
InChI: InChI=1S/C11H18N2O3S/c1-8(2)13(4)17(15,16)12-10-7-9(3)5-6-11(10)14/h5-8,12,14H,1-4H3
InChIKey: NABNRHWXENQDQP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1)NS(=O)(=O)N(C)C(C)C)O
ACDLabs 12.01Oc1ccc(C)cc1NS(=O)(=O)N(C)C(C)C
CACTVS 3.385CC(C)N(C)[S](=O)(=O)Nc1cc(C)ccc1O
Name:N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide
ChEMBL: CHEMBL4979073
ZINC: ZINC000042520483
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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