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GPCR

Name	Thyrotropin-releasing hormone receptor
Species	Homo sapiens (Human)
Gene	TRHR
Synonym	Thyroliberin receptor TRH receptor TRH-R TRH-R1 TRH1 receptor
Disease	Unspecified Pain Neurodegenerative disease Endocrine disease Cognitive disorders CNS stimulant [ Show all ]
Length	398
Amino acid sequence	MENETVSELNQTQLQPRAVVALEYQVVTILLVLIICGLGIVGNIMVVLVVMRTKHMRTPTNCYLVSLAVADLMVLVAAGLPNITDSIYGSWVYGYVGCLCITYLQYLGINASSCSITAFTIERYIAICHPIKAQFLCTFSRAKKIIIFVWAFTSLYCMLWFFLLDLNISTYKDAIVISCGYKISRNYYSPIYLMDFGVFYVVPMILATVLYGFIARILFLNPIPSDPKENSKTWKNDSTHQNTNLNVNTSNRCFNSTVSSRKQVTKMLAVVVILFALLWMPYRTLVVVNSFLSSPFQENWFLLFCRICIYLNSAINPVIYNLMSQKFRAAFRKLCNCKQKPTEKPANYSVALNYSVIKESDHFSTELDDITVTDTYLSATKVSFDDTCLASEVSFSQS
UniProt	P34981
Protein Data Bank	N/A
GPCR-HGmod model	P34981
3D structure model	This predicted structure model is from GPCR-EXP P34981.
BioLiP	N/A
Therapeutic Target Database	T77796
ChEMBL	CHEMBL1810
IUPHAR	363
DrugBank	BE0008659

Ligand

Name	MLS000082525
Molecular formula	C15H17N3O4S
IUPAC name	ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
Molecular weight	335.378
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.1
Synonyms	AKOS005706752 ethyl [(5Z)-5-{[(4-methylphenoxy)acetyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate STL053786 714949-25-4 ethyl 2-[5-[2-(4-methylphenoxy)ethanoylamino]-1,3,4-thiadiazol-2-yl]ethanoate REGID_for_CID_665231 AKOS032391961 HMS2303E16 ZINC4296040 2-[5-[[2-(4-methylphenoxy)-1-oxoethyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester CHEMBL1347747 MolPort-000-777-219 AC1LDDCH ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate SMR000046348 BDBM67571 MCULE-7437753426 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester cid_665231 MolPort-002-628-176 [ Show all ]
Inchi Key	DOWXYMBQDLYTJW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17N3O4S/c1-3-21-14(20)8-13-17-18-15(23-13)16-12(19)9-22-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,18,19)
PubChem CID	665231
ChEMBL	CHEMBL1347747
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
Potency	7307.8 nM	PubChem BioAssay data set	ChEMBL

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