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BioLiP

PDB CCD ID: P5H
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N3 O4 S
InChI: InChI=1S/C10H15N3O4S/c1-7-3-4-8(10(15)13-7)9(14)11-5-6-12-18(2,16)17/h3-4,8,12H,5-6H2,1-2H3,(H,11,14)/t8-/m0/s1
InChIKey: GMIZUAADSVWSGE-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=NC(=O)[CH](C=C1)C(=O)NCCN[S](C)(=O)=O
OpenEye OEToolkits 2.0.7CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C
CACTVS 3.385CC1=NC(=O)[C@@H](C=C1)C(=O)NCCN[S](C)(=O)=O
Name:6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H}-pyridine-3-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).
  • 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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