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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	CITRONELLAL
Molecular formula	C10H18O
IUPAC name	3,7-dimethyloct-6-enal
Molecular weight	154.253
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.0
Synonyms	Rhodinal (VAN) 3,7-Dimethyl-6-octen-1-al 6-Octenal,3,7-dimethyl- AN-19929 CAS-106-23-0 Citronellal, 93%, pract. DSSTox_RID_79843 FT-0623961 Jsp000566 NSC 46106 (+/-)-Citronellal, >=85%, FG (+/-)-Citronellal, natural, >=85%, FCC, FG TL8000227 3,7-dimethyloct-6-en-1-al 951036-04-7 AS-54400 CTK4A4443 EINECS 203-376-6 HSDB 594 MFCD00038090 ( inverted exclamation markA)-3,7-Dimethyl-6-octenal Poly((1,3a,4,6,7,7a-hexahydro-1,3-dioxo-3H-furo(3,4-c)pyran-4,6-diyl)(tetrahydro-2,5-dioxo-3,4-furandiyl)methylene) racemic citronellal 2,3-Dihydrocitral W-108770 6-Octenal, 3,7-dimethyl-, (3S)- AI3-00203 c1026 Citronella (natural) DSSTox_CID_21790 FEMA 2307 InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H NCGC00255093-01 (+/-)-3,7-Dimethyl-6-octenal (+/-)-Citronellal, >=95.0% (GC) SBB068490 3,7-Dimethyl-6-octenal 6-Octenal,7-dimethyl- AN-22417 CCRIS 8421 Citronellel DTXSID3041790 FT-0623963 KS-00000W2N NSC-46106 .beta.-Citronellal Tox21_301195 3,7-Dimethyloct-6-enal AC1L1PKC beta -Citronellal CHEMBL447944 D-Rhodinal EINECS 227-707-9 I14-51328 MolPort-001-787-552 ( inverted exclamation markA)-Citronellal Poly((1,3a,4,6,7,7a-hexahydro-1,3-dioxo-3H-furo(3,4-c)pyran-4,6-diyl)(tetrahydro-2,5-dioxo-3,4-furandiyl)methylene) (9CI) Rhodinal 26489-02-1 6-Octenal, 3,7-dimethyl-, (S)- AKOS000121405 C17384 DSSTox_GSID_41790 FEMA No. 2307 J-502100 NEHNMFOYXAPHSD-UHFFFAOYSA-N (+/-)-Citronellal (+/-)-Citronellal, analytical standard SCHEMBL29275 3,7-dimethyl-oct-6-enal 8000-29-1 ANW-14009 CHEBI:47856 CITRONELLOL,(D) EC 203-376-6 GTPL6300 LS-2363 NSC46106 Poly[(1,4,6,7,7a-hexahydro-1,3-dioxo-3H-furo[3,4-c]pyran-4,6-diyl)(tetrahydro-2,5-dioxo-3,4-furandiyl)methylene] 106-23-0 TR-030705 6-Octenal, 3,7-dimethyl- ACMC-2097ij beta-Citronellal Citronella DB-040680 Epitope ID:112868 I14-7185 NCGC00248328-01 (+/-) citronellal [ Show all ]
Inchi Key	NEHNMFOYXAPHSD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3
PubChem CID	7794
ChEMBL	CHEMBL447944
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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