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GLASS

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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	Ethylene brassylate
Molecular formula	C15H26O4
IUPAC name	1,4-dioxacycloheptadecane-5,17-dione
Molecular weight	270.369
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.2
Synonyms	AJ-47727 BRN 0212344 DSSTox_CID_24774 Ethyl brassylate Ethylene glycol, cyclic tridecanedioate KS-00000YHB NCGC00254874-01 Tox21_300971 1,4dioxa-Cycloheptadecane-5,17-dione 91462-25-8 Astra-tone CCRIS 9097 DTXSID1044774 Ethylene Brassylate (Musk-T) FEMA No. 3543 MolPort-001-917-574 O558 Tridecanedioic acid, cyclic ethylene ester (8CI) 1, ester with ethylene glycol ACMC-20akw8 BAS 00189937 CTK0H7420 EINECS 203-347-8 ETHYLENE BRASYLATE Jsp000553 Musk-T RTR-001209 XRHCAGNSDHCHFJ-UHFFFAOYSA-N 1,17-dione 105-95-3 AK114169 C-28025 DSSTox_GSID_44774 ethylene 1,13-tridecanedioate Ethylene Tridecanedioate LS-158398 NSC 46155 TR-001209 9A87HC7ROD Astratone E0344 Ethylene brassylate, >=95%, FG FT-0626301 Musk NN 10 microg/mL in Cyclohexane Oprea1_321002 UNII-9A87HC7ROD 1,1'-Undecanedicarboxylic acid, ester with ethylene glycol AI3-24589 Brassylic Acid Ethylene Ester Cyclo-1,13-ethylenedioxytridecan-1,13-dione Emeressence 1150 Ethylene glycol brassylate, cyclic diester KB-216562 NCGC00248236-01 SCHEMBL291354 ZINC4024376 1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE 4-19-00-01936 (Beilstein Handbook Reference) AKOS000623114 CAS-105-95-3 DSSTox_RID_80465 Ethylene undecane dicarboxylate MCULE-6908825525 NSC-46155 Tridecanedioic acid, cyclic ethylene ester AC1L1UCU AX8129697 CHEMBL2059298 EC 203-347-8 Ethylene brassylate, analytical standard I14-17816 Musk T Oprea1_440108 WLN: T-17-AVO EOVTJ 1,11-Undecanedicarboxylic acid, ester with ethylene glycol [ Show all ]
Inchi Key	XRHCAGNSDHCHFJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
PubChem CID	61014
ChEMBL	CHEMBL2059298
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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