BioLiP

PDB

BioLiP

PDB CCD ID:

A1H6A

Number of entries in BioLiP:

Chemical formula:

C11 H16 O2

InChI:

InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)/t7-,8+,9-,11-

InChIKey:

JIMXXGFJRDUSRO-KJZNFTALSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C12CC3CC(CC(C3)C1)C2
OpenEye OEToolkits 2.0.7	C1C2CC3CC1CC(C2)(C3)C(=O)O

Name:

adamantane-1-carboxylic acid

ChEMBL:

CHEMBL170568

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).