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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	MLS000777053
Molecular formula	C21H12N2O4S
IUPAC name	3-[5-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
Molecular weight	388.397
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.4
Synonyms	CHEMBL1991573 SR-01000495276-1 3-{5-[(E)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-2-furyl}benzoic acid AC1LZL7P IDI1_021191 BRD-K14109741-001-01-0 SMR000413437 3-[5-[(E)-(1-oxo-2-thiazolo[3,2-a]benzimidazolylidene)methyl]-2-furanyl]benzoic acid cid_1976940 STK084967 3-{5-[(E)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid AKOS001677436 3-[5-[(E)-(1-ketothiazolo[3,2-a]benzimidazol-2-ylidene)methyl]-2-furyl]benzoic acid SR-01000495276 3-[5-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid HMS1482F03 ZINC13798980 3-{5-[3-Oxo-benzo[4,5]imidazo[2,1-b]thiazol-(2E)-ylidenemethyl]-furan-2-yl}-benzoic acid BDBM114259 MolPort-002-563-456 3-[5-[(E)-(1-oxidanylidene-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid [ Show all ]
Inchi Key	IHXPBZYKWITPFM-WOJGMQOQSA-N
Inchi ID	InChI=1S/C21H12N2O4S/c24-19-18(28-21-22-15-6-1-2-7-16(15)23(19)21)11-14-8-9-17(27-14)12-4-3-5-13(10-12)20(25)26/h1-11H,(H,25,26)/b18-11+
PubChem CID	1976940
ChEMBL	CHEMBL1991573
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	2592.9 nM	PubChem BioAssay data set	ChEMBL

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