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BioLiP

PDB CCD ID: 00D
Number of entries in BioLiP: 0
Chemical formula: C6 H15 N
InChI: InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m1/s1
InChIKey: DXSUORGKJZADET-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[C@@H](N)C(C)(C)C
OpenEye OEToolkits 1.7.0C[C@H](C(C)(C)C)N
ACDLabs 12.01NC(C)C(C)(C)C
OpenEye OEToolkits 1.7.0CC(C(C)(C)C)N
CACTVS 3.370C[CH](N)C(C)(C)C
Name:(2R)-3,3-dimethylbutan-2-amine
ZINC: ZINC000002166835
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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