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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	CELESTOLIDE
Molecular formula	C17H24O
IUPAC name	1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone
Molecular weight	244.378
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	5.0
Synonyms	Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]- LS-2539 SC-25040 UNII-E1HM68Q21P 1-(6-tert-butyl-1,1-dimethyl-indan-4-yl)ethanone 4-acetyl-6-t-butyl-1,1-dimethylindane 6-tert-Butyl-1,1-dimethylindan-4-yl methyl ketone AK-57670 CC-1323 DSSTox_CID_24536 DTXSID9044536 FT-0601565 Musk celestolide ST24037467 1-(6-(tert-Butyl)-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone ZX-AT006138 1-[6-(tert-butyl)-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl]ethan-1-one 4-Acetyl-6-tert-butyl-1,1-dimethylindane acetyl tert-butyl dimethylindan ANW-19375 Esperone Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl OR28804 TC-108120 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone 4-acetyl-1,1-dimethyl-6-t-butylindane 6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone AI3-28573 C-14835 Chrysolide FEMA 3653 MCULE-7921984241 SCHEMBL112943 W-110316 1-(6-tert-Butyl-1,1-dimethylindan-4-yl)ethanone 4-Acetyl-6-tert-butyl-1,1-dimethyl indan 88401-65-4 AKOS001014891 CCG-50538 DSSTox_GSID_44536 E1HM68Q21P IKTHMQYJOWTSJO-UHFFFAOYSA-N musk dimethyl indane STK709219 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethan-1-one 1-[6-(tert-Butyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]ethan-1-one 4CH-023796 ACMC-209bnl AX8016763 Ethanone, 1-(6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)- KS-0000150P PS-7533 Tox21_301542 1-(6-tert-butyl-1,1-dimethyl-indan-4-yl)-ethanone 4-Acetyl-6-butyl-1,1-dimethylindane 6-Tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone, 8CI AJ-46631 CAS-13171-00-1 CTK8B0138 FEMA No. 3653 MolPort-000-802-893 SR-01000639907-1 1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone ZINC3881431 1-[6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]ethanone, 9CI 4-Acetyl-6-tert-butyl-1,1-dimethylindan AC1L1VIZ AN-19537 CCRIS 8404 DSSTox_RID_80299 EINECS 236-114-4 Indane, 4-acetyl-1,1-dimethyl-6-(1,1-dimethylethyl) NCGC00255757-01 T7374 1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone 13171-00-1 5877AA ADBI 10 microg/mL in Cyclohexane BBL009811 CHEMBL3188960 [ Show all ]
Inchi Key	IKTHMQYJOWTSJO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3
PubChem CID	61585
ChEMBL	CHEMBL3188960
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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