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BioLiP

PDB CCD ID: SVJ
Number of entries in BioLiP: 1
Chemical formula: C8 H16 N2
InChI: InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6-,7+,8-
InChIKey: HJGMRAKQWLKWMH-RNLVFQAGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1[C@@H]2CC[C@H]1CC(C2)N
OpenEye OEToolkits 2.0.6CN1C2CCC1CC(C2)N
CACTVS 3.385CN1[CH]2CC[CH]1C[CH](N)C2
CACTVS 3.385CN1[C@H]2CC[C@@H]1C[C@H](N)C2
Name:(1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
ChEMBL: CHEMBL3084978
ZINC: ZINC000100013524
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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