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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	Damascenone
Molecular formula	C13H18O
IUPAC name	(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
Molecular weight	190.286
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.2
Synonyms	NCGC00357220-01 trans-beta-Damascenone (2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one .beta.-(E)-Damascenone 2,6,6-Trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene 36649-63-5 beta -(e)-damascenone CHEMBL3733030 Doricenone EINECS 245-833-2 SCHEMBL80947 UNII-U66V25TBO0 (E)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)-2-buten-1-one 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one, trans- 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)- AC1NSMVF beta-Damascenone Damascenone, analytical standard fermentone trans-2,6,6-Trimethyl-1-crotonylcyclohexa-1,3-diene (2 E)-1-(2,6,6-trimethylcyclohexane-1,3-dien-1-yl)but-2-en-1-one (e)-beta -damascenone 1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2E-buten-1-one 23726-93-4 AN-17999 CHEBI:67251 Damascenone, trans- DSSTox_CID_21397 POIARNZEYGURDG-FNORWQNLSA-N trans-damascenone (E)-.beta.-Damascenone .beta.-Damascenone 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)- 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-one beta -damascenone EINECS 245-844-2 Tox21_304001 ZINC100070359 (E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one 1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one 2-Buten-1-one,1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- AJ-53224 C-27419 Damascenone, certified reference material, TraceCERT(R) LMPR01070304 Trans-beta -damascenone (2E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one (E)-beta-damascenone 2,6,6-trimethyl-1-crotonoyl-1,3-cyclohexadiene 3,5,8-Megastigmatrien-7-one b-damascenone DISCONTINUED, UNSTABLE" DSSTox_GSID_41397 RT-004632 U66V25TBO0 (E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E) A816852 beta-(E)-damascenone Damascenone (natural) FEMA No. 3420 trans-.beta.-Damascenone (E)-1-(2,6,6-trimethylcyclohexa-1,3-dienyl)but-2-en-1-one 1-crotonoyl-2,6,6-trimethylcyclohexa-1,3-diene 23696-85-7 AKOS015914961 CAS-23696-85-7 Damascenone, natural, 1.1-1.3 wt. % (190 proof ethanol), FG [ Show all ]
Inchi Key	POIARNZEYGURDG-FNORWQNLSA-N
Inchi ID	InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
PubChem CID	5366074
ChEMBL	CHEMBL3733030
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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