BioLiP

PDB

BioLiP

PDB CCD ID:

E01

Number of entries in BioLiP:

Chemical formula:

C15 H25 N

InChI:

InChI=1S/C15H25N/c16-14-1-3-15(4-2-14)12-6-10-5-11(8-12)9-13(15)7-10/h10-14H,1-9,16H2/t10-,11+,12-,13+,14-,15-

InChIKey:

VNTMIVFMVGTSHV-RLUXGHLOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1CCC2(CC1)C3CC4CC(C3)CC2C4
OpenEye OEToolkits 2.0.6	C1CC2(CCC1N)C3CC4CC(C3)CC2C4
ACDLabs 12.01	C1(CCC2(CC1)C3CC4CC2CC(C3)C4)N

Name:

(1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine

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).