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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	127-51-5
Molecular formula	C14H22O
IUPAC name	(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular weight	206.329
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.3
Synonyms	Cetone alpha FEMA 2714 JRJBVWJSTHECJK-UHFFFAOYSA-N NCGC00247909-01 STK801849 (+)-3-Methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)-3-buten-2-one .alpha.-iso-Methyl ionone 3-Methyl-a-ionone alpha-Cetone, odorant used in allergy studies DSSTox_CID_7047 Isomethyl-.alpha.-ionone M0647 RTR-003947 W-109462 (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one 3-BUTEN-2-ONE, 3-METHYL-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)- 8-Methyl-.alpha.-ionone alpha-ISOMETHYL IONONE BRI FCC DTXSID7027047 Isomethylionone, alpha- Methyl-alpha-isoionone SCHEMBL160940 .alpha.-Cetone 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one, analytical standard AKOS015899855 alpha-Isomethylionone, mixture of isomers FEMA No. 2714 KB-183565 NCGC00254048-01 Tox21_300152 (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one 4-(2,6,6-Trimethyl 2-cyclohexen-1-yl)-3-methyl-3-buten-2-one alpha-Ionone, isomethyl- DSSTox_GSID_27047 Isomethyl-a-ionone Methyl ionone I S582 (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one AC1NSXU5 alpha-Isomethyl ionone, >=95%, stabilized, FG EINECS 204-846-3 JRJBVWJSTHECJK-PKNBQFBNSA-N MolPort-000-145-914 ST24028583 .alpha.-Ionone, isomethyl- 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one alpha-Cetone CAS-127-51-5 CHEMBL3183353 Iso-.alpha.-methyl ionone LS-178802 NSC 66432 TR-003947 (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one 15789-90-9 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one alpha-iso-Methylionone DSSTox_RID_78291 Isomethyl-alpha-ionone Methyl-.alpha.-isoionone SBB093728 .alpha. Isomethyl ionone 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one # AI3-36074 Alpha-isomethylionone [ Show all ]
Inchi Key	JRJBVWJSTHECJK-PKNBQFBNSA-N
Inchi ID	InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
PubChem CID	5372174
ChEMBL	CHEMBL3183353
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	50.0 %	None	ChEMBL

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