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BioLiP

PDB CCD ID: ADO
Number of entries in BioLiP: 1
Chemical formula: C10 H14 O
InChI: InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/t6-,7+,8-,9+
InChIKey: IYKFYARMMIESOX-SPJNRGJMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C2CC3CC1CC(C2)C3=O
CACTVS 3.341O=C1C2CC3CC(C2)CC1C3
ACDLabs 10.04O=C1C2CC3CC1CC(C2)C3
Name:ADAMANTANONE
DrugBank: DB02125
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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