BioLiP

PDB

BioLiP

PDB CCD ID:

AXM

Number of entries in BioLiP:

Chemical formula:

C12 H19 N O2

InChI:

InChI=1S/C12H19NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14)/t8-,9+,10-,12-

InChIKey:

JKZCKUGJZBWOQO-GOCCLTDMSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(NO)CC13CC2CC(CC(C1)C2)C3
CACTVS 3.370	ONC(=O)CC12CC3CC(CC(C3)C1)C2
OpenEye OEToolkits 1.7.6	C1C2CC3CC1CC(C2)(C3)CC(=O)NO

Name:

N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide;
Adamantane acetic acid hydroxamate

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).