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BioLiP

PDB CCD ID: EFF
Number of entries in BioLiP: 1
Chemical formula: C10 H18 N2 O2 S
InChI: InChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1
InChIKey: OHKVCMUJTCAISN-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](CS)C(=O)N1CCC(CC1)C(=O)N
CACTVS 3.385C[CH](CS)C(=O)N1CCC(CC1)C(N)=O
CACTVS 3.385C[C@H](CS)C(=O)N1CCC(CC1)C(N)=O
OpenEye OEToolkits 2.0.7CC(CS)C(=O)N1CCC(CC1)C(=O)N
Name:1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
ChEMBL: CHEMBL4759908
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)(download the PDF file).
  • 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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