BioLiP

PDB

BioLiP

PDB CCD ID:

OFZ

Number of entries in BioLiP:

Chemical formula:

C14 H25 N3

InChI:

InChI=1S/C14H25N3/c1-2-16-14(15)17-8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,2-8H2,1H3,(H3,15,16,17)/t9-,10+,11-,12+,13-

InChIKey:

GKPMCHKJTWWYLH-FOPUMGAHSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCNC(=N)NCC1C2CC3CC(C2)CC1C3
OpenEye OEToolkits 2.0.7	[H]/N=C(\NCC)/NCC1C2CC3CC(C2)CC1C3

Name:

1-(2-adamantylmethyl)-3-ethyl-guanidine

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).