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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: ZVK
Number of entries in BioLiP: 0
Chemical formula: C12 H18 N2 S
InChI: InChI=1S/C12H18N2S/c1-4-10-6-8-11(9-7-10)14-12(13-3)15-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)
InChIKey: ZUMALHSBJIUQMI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCSC(NC)=Nc1ccc(CC)cc1
ACDLabs 12.01CNC(/SCC)=N/c1ccc(cc1)CC
OpenEye OEToolkits 2.0.7CCc1ccc(cc1)N=C(NC)SCC
OpenEye OEToolkits 2.0.7CCc1ccc(cc1)/N=C(/NC)\SCC
Name:ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate

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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