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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	SMR000129696
Molecular formula	C16H10F3N5OS3
IUPAC name	3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Molecular weight	441.465
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	4.7
Synonyms	MLS000519277 SR-01000112055-1 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide EU-0048238 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide AKOS001678027 CHEMBL1442537 STK771457 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide MCULE-2507862699 3-azanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide BDBM50135 SR-01000112055 cid_11957284 ZINC8672484 3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamide [ Show all ]
Inchi Key	AYVAMSONWXATIR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H10F3N5OS3/c1-6-23-24-15(27-6)22-13(25)12-11(20)10-7(16(17,18)19)5-8(21-14(10)28-12)9-3-2-4-26-9/h2-5H,20H2,1H3,(H,22,24,25)
PubChem CID	11957284
ChEMBL	CHEMBL1442537
IUPHAR	N/A
BindingDB	50135
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

Parameter	Value	Reference	Database source
Potency	2059.6 nM	PubChem BioAssay data set	ChEMBL

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