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BioLiP

PDB CCD ID: LRF
Number of entries in BioLiP: 6
Chemical formula: C8 H10 N4 O S
InChI: InChI=1S/C8H10N4OS/c1-5-6(3-9)8(14-11-5)12(2)4-7(10)13/h4H2,1-2H3,(H2,10,13)
InChIKey: BCFQGXBWVPWHCV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N#Cc1c(snc1C)N(C)CC(N)=O
OpenEye OEToolkits 2.0.7Cc1c(c(sn1)N(C)CC(=O)N)C#N
CACTVS 3.385CN(CC(N)=O)c1snc(C)c1C#N
Name:N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide
ZINC: ZINC000253415400
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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