BioLiP

PDB

BioLiP

PDB CCD ID:

3AG

Number of entries in BioLiP:

Chemical formula:

C9 H18 N O7 P2

InChI:

InChI=1S/C9H21NO7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5H,4,6-8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3

InChIKey:

UWHNDWYDKGVRGE-UHFFFAOYSA-K

SMILES:

Software	SMILES
CACTVS 3.341	CN(CCO[P]([O-])(=O)O[P]([O-])([O-])=O)CCC=C(C)C
OpenEye OEToolkits 1.5.0	CC(=CCCN(C)CCOP(=O)([O-])OP(=O)([O-])[O-])C
OpenEye OEToolkits 1.5.0	CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C

Name:

2-[METHYL-(4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE;
3-AZA-2,3-DIHYDROGERANYL DIPHOSPHATE

DrugBank:

DB02369

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).