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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Olfactory receptor 5K1
Species	Homo sapiens (Human)
Gene	OR5K1
Synonym	HTPCRX10 Olfactory receptor OR3-8
Disease	N/A
Length	308
Amino acid sequence	MAEENHTMKNEFILTGFTDHPELKTLLFVVFFAIYLITVVGNISLVALIFTHRRLHTPMYIFLGNLALVDSCCACAITPKMLENFFSENKRISLYECAVQFYFLCTVETADCFLLAAMAYDRYVAICNPLQYHIMMSKKLCIQMTTGAFIAGNLHSMIHVGLVFRLVFCGSNHINHFYCDILPLYRLSCVDPYINELVLFIFSGSVQVFTIGSVLISYLYILLTIFKMKSKEGRAKAFSTCASHFLSVSLFYGSLFFMYVRPNLLEEGDKDIPAAILFTIVVPLLNPFIYSLRNREVISVLRKILMKK
UniProt	Q8NHB7
Protein Data Bank	N/A
GPCR-HGmod model	Q8NHB7
3D structure model	This predicted structure model is from GPCR-EXP Q8NHB7.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3721312
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Citronellyloxyacetaldehyde
Molecular formula	C12H22O2
IUPAC name	2-(3,7-dimethyloct-6-enoxy)acetaldehyde
Molecular weight	198.306
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.3
Synonyms	(3,7-dimethyl-oct-6-enyloxy)-acetaldehyde 7492-67-3 AKOS006273758 LMETVDMCIJNNKH-UHFFFAOYSA-N [(3,7-dimethyl-6-octenyl)oxy]-acetaldehyde 2-(3,7-dimethyloct-6-enyloxy)acetaldehyde Acetaldehyde, 2-((3,7-dimethyl-6-octen-1-yl)oxy)- C-52046 EINECS 231-324-2 Muguet aldehyde ((3,7-dimethyl-6-octenyl)oxy)-Acetaldehyde 6,10-Dimethyl-3-oxa-9-undecanal Acetaldehyde,7-dimethyl-6-octenyl)oxy]- CITRONELLOXYACETALDEHYDE FT-0694239 NSC46126 2-((3,7-Dimethyl-6-octen-1-yl)oxy)-Acetaldehyde AC1L1V5R AN-20115 CTK5E0699 LS-2635 [(3,7-dimethyl-6-octenyl)oxy]acetaldehyde 2-01-00-00864 (Beilstein Handbook Reference) Acetaldehyde, 2-[(3,7-dimethyl-6-octen-1-yl)oxy]- Fema 2310 NSC 46126 ((3,7-Dimethyl-6-octenyl)oxy)acetaldehyde 6,10-Dimethyl-3-oxa-9-undecenal AI3-36126 citronellyl oxyacetaldehyde KB-51853 SCHEMBL130555 2-(3,7-dimethyloct-6-enoxy)acetaldehyde Acetaldehyde, ((3,7-dimethyl-6-octenyl)oxy)- BRN 1767678 DTXSID7052492 Muget aldehyde 2-[(3,7-dimethyloct-6-en-1-yl)oxy]acetaldehyde Acetaldehyde, [(3,7-dimethyl-6-octenyl)oxy]- CHEMBL3729330 FEMA No. 2310 NSC-46126 [ Show all ]
Inchi Key	LMETVDMCIJNNKH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H22O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,8,12H,4,6-7,9-10H2,1-3H3
PubChem CID	61401
ChEMBL	CHEMBL3729330
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	40.0 %	None	ChEMBL

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