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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	1-(benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
Molecular formula	C17H18O2
IUPAC name	2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
Molecular weight	254.329
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.1
Synonyms	Benzyl 2-methoxy-4-prop-1-enylphenyl ether EAQ1VI50KH J-004259 ST24037546 1-(benzyloxy)-2-methoxy-4-[(1E)-prop-1-en-1-yl]benzene 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene AK135529 Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propen-1-yl)- Benzyl isoeugenol FEMA no. 3698, E- LS-2860 trans-Isoeugenyl benzyl ether 1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene 92666-21-2 Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1E)-1-propen-1-yl- Isoeugenyl benzyl ether SR-01000417307 ZINC238671 120-11-6 AC1Q574E AKOS001612090 Benzyl 2-methoxy-4-propenylphenyl ether EINECS 204-370-6 KB-152270 STK825216 1-(benzyloxy)-2-methoxy-4-[(E)-1-propenyl]benzene 2-Methoxy-4-propenylphenyl benzyl ether BENZENE, 2-METHOXY-1-(PHENYLMETHOXY)-4-(1-PROPENYL)- Benzyl isoeugenol ether Isoeugenol benzyl ether MolPort-002-539-054 UNII-EAQ1VI50KH 1-Benzyloxy-2-methoxy-4-propenylbenzene AC1LG2LR BENZENE,2-METHOXY-1-(PHENYLMETHOXY)-4-(1E)-1-PROPEN-1-YL- CHEMBL3727581 Isoeugenyl benzyl ether, (E)- SR-01000417307-1 1-(Benzyloxy)-2-methoxy-4-[(1E)-1-propenyl]benzene 2-Methoxy-1-(phenylmethoxy)-4-(1-propenyl)benzene AJ-18233 Benzene, 1-(benzyloxy)-2-methoxy-4-propenyl- Benzyl alcohol, ether with isoeugenol FEMA No. 3698 KB-218176 TR-003342 1-alpha-Phenyl-4-propenylveratrole 4-Propenyl-1-benzyloxy-2-methoxybenzene Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-, (E)- Benzylisoeugenol Isoeugenol, benzyl ether NSC 46157 YKSSSKBJDZDZTD-XVNBXDOJSA-N 1-(Benzyloxy)-2-methoxy-4-(1-propenyl)benzene 1-Benzyloxy-2-methoxy-4-[(E)-1-propenyl]benzene AC1Q488Z [ Show all ]
Inchi Key	YKSSSKBJDZDZTD-XVNBXDOJSA-N
Inchi ID	InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+
PubChem CID	764139
ChEMBL	CHEMBL3727581
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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