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BioLiP

PDB CCD ID: 2BN
Number of entries in BioLiP: 2
Chemical formula: C9 H17 N
InChI: InChI=1S/C9H17N/c1-8(2)7-4-5-9(8,3)10-6-7/h7,10H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKey: OLTRGBMOWPXXIG-VXNVDRBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1(C)[C@@H]2CC[C@@]1(C)NC2
ACDLabs 10.04N2C1(CCC(C1(C)C)C2)C
OpenEye OEToolkits 1.5.0CC1([C@@H]2CC[C@]1(NC2)C)C
CACTVS 3.341CC1(C)[CH]2CC[C]1(C)NC2
OpenEye OEToolkits 1.5.0CC1(C2CCC1(NC2)C)C
Name:(1R,4S)-2-AZABORNANE
DrugBank: DB02409
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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