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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: V9I
Number of entries in BioLiP: 1
Chemical formula: C10 H18 N2 O4
InChI: InChI=1S/C10H18N2O4/c1-3-16-10(14)12-6-4-5-8(7-12)9(13)11-15-2/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1
InChIKey: CUKXABWTVVSDEP-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)N1CCC[CH](C1)C(=O)NOC
CACTVS 3.385
OpenEye OEToolkits 2.0.7
CCOC(=O)N1CCC[C@@H](C1)C(=O)NOC
ACDLabs 12.01CONC(=O)C1CCCN(C1)C(=O)OCC
OpenEye OEToolkits 2.0.7CCOC(=O)N1CCCC(C1)C(=O)NOC
Name:ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate
ZINC: ZINC000043729698

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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