BioLiP

PDB

BioLiP

PDB CCD ID:

ADO

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C2CC3CC1CC(C2)C3=O
CACTVS 3.341	O=C1C2CC3CC(C2)CC1C3
ACDLabs 10.04	O=C1C2CC3CC1CC(C2)C3

Name:

ADAMANTANONE

DrugBank:

DB02125

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).