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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	MUSK KETONE
Molecular formula	C14H18N2O5
IUPAC name	1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Molecular weight	294.307
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	Ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)- Ketone musk Musk ketone, >=98% 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone SBB066104 1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone TL8005426 3,5-Dinitro-2,6-dimethyl-4-tert-butyl acetophenone 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone AC1L1N1M AKOS005524284 CHEMBL1877463 DSSTox_CID_5690 FT-0629036 MCULE-7968040131 NCGC00255386-01 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanon SR-01000324027 2,6-Dimethyl-3,5-dinitro-4-tert-butylacetophenone W-104216 4'-tert-Butyl-2',5'-dinitroacetophenone 483V3E1L6J Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro- BRN 2062638 DTXSID6025690 Ketone moschus Musk ketone 10 microg/mL in Cyclohexane 1-(4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)ethanone NSC15339 1-acetyl-4-(tert-butyl)-2,6-dimethyl-3,5-dinitrobenzene STK725128 2,6-Dinitro-3,5-dimethyl-4-acetyl-tertbutylbenzene ZX-AT028251 4-07-00-00808 (Beilstein Handbook Reference) A840051 Acetyl-dinitro-butyl-xylene CCRIS 4677 CTK5E8491 Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]- Ketonmoschus Musk ketone;3-Methylcyclopentadecanone 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)eth SC-06841 1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone, 9CI Tox21_301627 3,5-Dinitro-2,6-dimethyl-4-tert-butylacetophenone 4-tert-Butyl-2,6-dimethyl-3,5-dinitroactophenone AC1Q1JBN AN-42205 DSSTox_GSID_25690 HSDB 7694 MolPort-000-700-122 NSC 15339 1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone SR-01000324027-1 2,6-dinitro-3,5-dimethyl-4-acetyl-tert-butyl benzene WXCMHFPAUCOJIG-UHFFFAOYSA-N 4'-Tert-butyl-2',6'-dimethyl-3',5'-dinitro-Acetophenone 6206AF Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro- (8CI) C14H18N2O5 EINECS 201-328-9 Ketone Moschus, >=97.0% (N) Musk ketone solution, 100 mug/mL in acetonitrile, analytical standard 1-(4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl)ethanone PubChem7464 1-Acetyl-4-tert-butyl-2,6-dimethyl-3,5-dinitrobenzene Synthetic Musk ketone 2-Acetyl-5-tert-butyl-4,6-dinitroxylene 4-t-Butyl-2,6-dimethyl-3,5-dinitroacetophenone AC-11085 AI3-02440 Dinitro-tert-butylxylyl methyl ketone Ethanone,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]- LS-1807 NCGC00164404-01 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one SCHEMBL113330 2,6-Dimethyl-3,5-dinitro-4-t-butylacetophenone UNII-483V3E1L6J 4'-tert-Butyl-2', 6'-dimethyl-3',5'-dinitroacetophenone 4-tert-Butyl-3,5-dinitro-2,6-dimethylacetophenone AC1Q1Y9V BBL011671 DSSTox_RID_77882 I06-0322 NSC-15339 1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone # ST50409238 2,6-Dinitro-3,5-dimethyl-4-acetyl-tert-butylbenzene ZINC1294932 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone 81-14-1 Acetophenone,6'-dimethyl-3',5'-dinitro- CAS-81-14-1 [ Show all ]
Inchi Key	WXCMHFPAUCOJIG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
PubChem CID	6669
ChEMBL	CHEMBL1877463
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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