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BioLiP

PDB CCD ID: EU7
Number of entries in BioLiP: 0
Chemical formula: C12 H21 N
InChI: InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m0/s1
InChIKey: UBCHPRBFMUDMNC-SVNGYHJRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](N)C12CC3CC(CC(C3)C1)C2
ACDLabs 12.01CC(N)C12CC3CC(C1)CC(C2)C3
CACTVS 3.385C[C@H](N)C12CC3CC(CC(C3)C1)C2
OpenEye OEToolkits 2.0.6CC(C12CC3CC(C1)CC(C3)C2)N
OpenEye OEToolkits 2.0.6C[C@@H](C12CC3CC(C1)CC(C3)C2)N
Name:(1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine;
S-RIMANTADINE
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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