BioLiP

PDB

BioLiP

PDB CCD ID:

A1ENP

Number of entries in BioLiP:

Chemical formula:

C12 H18 O2

InChI:

InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)/t8-,9+,10-,12-

InChIKey:

AOTQGWFNFTVXNQ-GOCCLTDMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C2CC3CC1CC(C2)(C3)CC(=O)O
CACTVS 3.385	OC(=O)CC12CC3CC(CC(C3)C1)C2

Name:

1-Adamantylacetic acid;
2-(1-adamantyl)ethanoic acid

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).