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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	103-95-7
Molecular formula	C13H18O
IUPAC name	2-methyl-3-(4-propan-2-ylphenyl)propanal
Molecular weight	190.286
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.3
Synonyms	3-(4-isopropylphenyl)-2-methyl-propanal 4-07-00-00788 (Beilstein Handbook Reference) AKOS009157690 Benzenepropanal, .alpha.-methyl-4-(1-methylethyl)- Cyclamen aldehyde EC 203-161-7 I0377 NCGC00254985-01 SCHEMBL1148 2-methyl-3-(4-isopropylphenyl)-propionaldehyde 2-methyl-3-(p-isopropylphenyl) propionaldehyde 3-(4-Isopropylphenyl)-2-methylpropionaldehyde 80949-77-5 alpha-Methyl-p-isopropylhydrocinnamaldehyde CAS-103-95-7 DB-021664 FT-0613680 KS-00000WER p-Isopropyl-.alpha.-methylphenylpropyl aldehyde .alpha.-Methyl-p-isopropylhydrocinnamaldehyde xi-3-(4-Isopropylphenyl)-2-methylpropanal 2-Methyl-3-[4-(Propan-2-Yl)Phenyl]Propanal 3-(p-Isopropylphenyl)isobutyraldehyde ACMC-1CA7J ANW-14996 CTK3J8112 DSSTox_RID_80460 HYDROCINNAMALDEHYDE, p-ISOPROPYL-alpha-METHYL- MolPort-001-787-536 p-Isopropyl-alpha-methylhydrocinnamic aldehyde 2-methyl-3-(4-isopropylphenyl)propionaldehyde 3-(4-Isopropylphenyl)-2-methylpropanal 4-Isopropyl-alpha-methylhydrocinnamaldehyde Aldehyde B Benzenepropanal, alpha-methyl-4-(1-methylethyl)- Cyclaviol EINECS 203-161-7 Isopropylmethylhydrocinnamaldehyde p-Isopropyl-.alpha.-methylhydrocinnamaldehyde Tox21_301084 2-Methyl-3-(p-isopropylphenyl)propionaldehyde 3-(4-Isopropylphenyl)isobutyraldehyde AC1LAPG8 alpha-Methyl-p-isopropylphenylpropylaldehyde DSSTox_CID_24769 Hydrocinnamaldehyde, isopropylmethyl- LS-2936 p-Isopropyl-alpha-methyl-hydrocinnamaldehyde .alpha.-Methyl-p-isopropylhydrocinnamic aldehyde ZFNVDHOSLNRHNN-UHFFFAOYSA-N 3-(4-isopropyl-phenyl)-2-methyl-propionaldehyde 3-p-Cumenyl-2-methylpropionaldehyde AI3-03941 BBV-39138089 Cyclamal DTXSID2044769 I01-10135 NCGC00248282-01 RT-004241 2-methyl-3-(4-isopropylphenyl)-propanal 2-methyl-3-(4-propan-2-ylphenyl)propanal 3-(4-Isopropylphenyl)-2-methylpropanal # 4-Isopropyl-alpha-methylhydrocinnamic aldehyde alpha-Methyl-4-(1-methylethyl)benzenepropanal BRN 2047689 Cymal FEMA No. 2743 KB-27122 p-Isopropyl-.alpha.-methylhydrocinnamic aldehyde W-109384 2-Methyl-3-(p-isopropylphenyl)propionaldehyde, >=95%, FCC, FG 3-(p-Isopropylphenyl)-2-methylpropionaldehyde AC1Q1QYY AN-24664 CHEMBL3183483 DSSTox_GSID_44769 Hydrocinnamaldehyde, p-isopropyl-.alpha.-methyl- MCULE-7380299348 p-Isopropyl-alpha-methylhydrocinnamaldehyde .beta.-Methyl-p-iso-propyl phenyl propionaldehyde [ Show all ]
Inchi Key	ZFNVDHOSLNRHNN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
PubChem CID	517827
ChEMBL	CHEMBL3183483
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	75.0 %	None	ChEMBL

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