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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	1205-17-0
Molecular formula	C11H12O3
IUPAC name	3-(1,3-benzodioxol-5-yl)-2-methylpropanal
Molecular weight	192.214
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.2
Synonyms	3-(1,3-benzodioxol-5-yl)-2-methyl-propanal a-Methyl-3,4-(methylenedioxy)hydrocinnamaldehyde AN-22352 CC-11330 DTXSID7043908 Heliogan KS-0000122F NSC-22282 SCHEMBL112940 2-methyl-3-(3,4-methylenedioxy-phenyl)propanal 2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal 3-(2H-benzo[d]1,3-dioxolan-5-yl)-2-methylpropanal AK-32982 AS-15348 CTK8B8275 Floramelon hydrocinnamaldehyde, alpha-methyl-3,4- (methylenedioxy) MCULE-3424309643 ocean propanal .alpha.-Methyl-3,4-methylenedioxy-hydrocinnamic aldehyde STL300759 TX-017881 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde 3-(benzo[d][1,3]dioxol-5-yl)-2-methylpropanal alpha-Methyl-1,3-benzodioxole-5-propionaldehyde C-24514 DSSTox_GSID_43908 Heliofresh Hydrocinnamaldehyde,4-(methylenedioxy)- New heliotropin RP25175 1,3-Benzodioxole-5-propanal, alpha-methyl- 2-Methyl-3-(3,4-methylenedioxyphen 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal AC1L21YN ANW-59877 EINECS 214-881-6 Helipropanal LS-185779 NSC22282 ST24028088 2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal, >=98% 3-(3,4-Methylenedioxyphenyl)-2-methyl-propanol AKOS015914177 BCP18791 DB-041564 FT-0633484 Hydrocinnamaldehyde, alpha-methyl-3,4-(methylenedioxy)- MolPort-002-135-196 PubChem15361 1, .alpha.-methyl- Tox21_301642 2-piperonyl propanal a-methyl-1,3-benzodioxole-5-propionaldehyde alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde CAS-1205-17-0 DSSTox_RID_80086 heliofresh(r) I14-43720 NSC 22282 SC-47153 2-methyl-3-(3,4-methylenedioxyphenyl) propionaldehyde 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal # AC1Q1QZ3 aquanal CHEMBL3183457 FCH1113160 Hydrocinnamaldehyde, .alpha.-methyl-3,4-(methylenedioxy)- M2404 O978 ST50825331 Tropional 2-Methyl-3-(3,4-Methylenedioxyphenyl)Propanal 3-(3,4-methylenedioxyphenyl)-2-methylpropanal alpha-Methyl-1,3-benzodioxole-5-propanal BOPPSUHPZARXTH-UHFFFAOYSA-N DSSTox_CID_23908 Heliobouquet Hydrocinnamaldehyde, alpha-methyl-3,4-(methylenedioxy)- (8CI) NCGC00255941-01 Q-201188 1,3-Benzodioxole-5-propanal, .alpha.-methyl- [ Show all ]
Inchi Key	BOPPSUHPZARXTH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3
PubChem CID	64805
ChEMBL	CHEMBL3183457
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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