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BioLiP

PDB CCD ID: RBG
Number of entries in BioLiP: 1
Chemical formula: C10 H20 N2 O
InChI: InChI=1S/C10H20N2O/c1-10(2,3)12-9(13)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKey: BZRGONFHSWNSQA-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)(C)NC(=O)C1CCCCN1
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(C)(C)NC(=O)[C@H]1CCCCN1
CACTVS 3.385CC(C)(C)NC(=O)[CH]1CCCCN1
ACDLabs 12.01C(C1CCCCN1)(=O)NC(C)(C)C
Name:(2R)-N-tert-butylpiperidine-2-carboxamide
ZINC: ZINC000006357278
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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