BioLiP

PDB

BioLiP

PDB CCD ID:

A1EDX

Number of entries in BioLiP:

Chemical formula:

C10 H14 O2

InChI:

InChI=1S/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2/t6-,7-,8+,10-

InChIKey:

TZBDEVBNMSLVKT-XYYXLIQBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C2CC3CC(C2)(CC1C3=O)O
CACTVS 3.385	OC12CC3C[CH](C1)C(=O)[CH](C3)C2
CACTVS 3.385	OC12CC3C[C@H](C1)C(=O)[C@@H](C3)C2
OpenEye OEToolkits 2.0.7	C1[C@@H]2CC3(C[C@@H](C2=O)CC1C3)O

Name:

Idramantone;
(1S,3R)-5-oxidanyladamantan-2-one

ChEMBL:

CHEMBL2001266

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).