BioLiP

PDB

BioLiP

PDB CCD ID:

A1CSW

Number of entries in BioLiP:

Chemical formula:

C13 H24 N

InChI:

InChI=1S/C13H24N/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,4-9H2,1-3H3/q+1/t10-,11+,12-,13-

InChIKey:

KKXBPUAYFJQMLN-WNGYAQOMSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[N+](C)(C)C12CC3CC(CC(C3)C1)C2
ACDLabs 14.52	C[N+](C)(C)C12CC3CC(CC(C1)C3)C2
OpenEye OEToolkits 3.1.0.0	C[N+](C)(C)C12CC3CC(C1)CC(C3)C2

Name:

1-(trimethyl-$l^{4}-azanyl)adamantane

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).