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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	2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile
Molecular formula	C20H13N3O2
IUPAC name	2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Molecular weight	327.343
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.8
Synonyms	MCULE-7330847183 12-(2-hydroxy-5-methylbenzoyl)-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile AC1LS9ME Oprea1_833103 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile HMS2640K18 2-[(2-hydroxy-5-methylphenyl)-oxomethyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile MLS000755133 190064-62-1 AKOS005100641 CHEMBL1332060 SMR000338008 KS-00001ZJ8 7M-752 MolPort-002-877-724 2-(2-hydroxy-5-methyl-benzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile BDBM54345 cid_1484504 ZINC1398280 2-(5-methyl-2-oxidanyl-phenyl)carbonylpyrido[1,2-a]benzimidazole-4-carbonitrile [ Show all ]
Inchi Key	DMQIXLDNRATNBD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H13N3O2/c1-12-6-7-18(24)15(8-12)19(25)14-9-13(10-21)20-22-16-4-2-3-5-17(16)23(20)11-14/h2-9,11,24H,1H3
PubChem CID	1484504
ChEMBL	CHEMBL1332060
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	9200.0 nM	PubChem BioAssay data set	ChEMBL

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