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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	Hexyl cinnamic aldehyde
Molecular formula	C15H20O
IUPAC name	(2E)-2-benzylideneoctanal
Molecular weight	216.324
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	4.8
Synonyms	2-(Phenylmethylidene)octanal AC1LT45E alpha-hexylcinna-maldehyde alpha-n-Hexyl-beta-phenylacrolein Cinnamaldehyde, alpha -hexyl- Hexyl Cinnamic Aldehyde Natural MolPort-002-506-955 Octanal, 2-(phenylmethylene)- UNII-E9947QRR9O .alpha.-Hexylcinnamic aldehyde 165184-98-5 2-Hexyl-3-phenyl-2-propenal alpha -hexylcinnamic aldehyde alpha-Hexylcinnamaldehyde, >=95%, stabilized, FG BB_NC-00223 EC 639-566-4 HMS3039O14 NCGC00090930-02 SMR001261427 (2E)-2-(phenylmethylidene)octanal ZINC4705576 2-(phenylmethylene)octanal (.beta.-hexyl cinnamaldehyde) 2-[(E)-benzylidene]octanal alpha-hexyl cinnamaldehyde alpha-Hexylcinnamic aldehyde GUUHFMWKWLOQMM-NTCAYCPXSA-N M559 NSC406799 TR-000452 (E)-2-benzylideneoctanal .alpha.-n-Hexyl-.beta.-phenylacrolein 2-Benzylideneoctanal AKOS015839664 alpha-Hexylcinnamaldehyde alpha-n-hexylcinnamaldehyde CJ-12229 Hexylcinnamal n-Hexyl cinnamaldehyde RTR-000452 W-108898 2-(phenylmethylene)-octanal 2-Hexyl-3-phenyl-propenal alpha -N-hexyl-alpha -hexylcinnamaldehyde alpha-Hexylcinnamaldehyde, analytical reference material BC4125461 Epitope ID:117426 I14-7332 NSC-406799 ST2409601 (2E)-2-benzylideneoctanal 2-(Phenylmethylene)octanal, 9CI a-Hexylcinnamaldehyde, 8CI alpha-Hexyl-beta-phenylacrolein alpha-Hexylcinnamyl aldehyde CHEMBL1449245 MLS002174256 NSC46150 UNII-7X6O37OK2I component GUUHFMWKWLOQMM-NTCAYCPXSA-N .alpha.-Hexylcinnamaldehyde 101-86-0 2-Hexenyl cynnamaldehyde alpha -hexylcinnamaldehyde alpha-Hexylcinnamaldehyde, (2E)- BBL027629 E9947QRR9O Hexylcinnamaldehyde NCGC00090930-01 SCHEMBL113170 WLN: VHY6 & U1R 2-(Phenylmethylene)octanal 2-Hexylcinnamaldehyde alpha -N-hexyl-beta -phenylacrolein alpha-Hexylcinnamaldehyde, technical grade, 85% CHEBI:55365 FEMA 2569 KB-228464 NSC-46150 STK709222 (2Z)-2-Hexyl-3-phenyl-2-propenal [ Show all ]
Inchi Key	GUUHFMWKWLOQMM-NTCAYCPXSA-N
Inchi ID	InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
PubChem CID	1550884
ChEMBL	CHEMBL1449245
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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