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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	SMR000043948
Molecular formula	C21H16N4O3S
IUPAC name	3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine
Molecular weight	404.444
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.1
Synonyms	MCULE-9715759587 ZINC2392036 AC1LD8T7 MolPort-000-634-199 1-(furan-2-ylmethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine F3225-2640 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine MLS000081617 [3-besyl-1-(2-furfuryl)pyrrolo[3,2-b]quinoxalin-2-yl]amine AKOS005613297 MolPort-006-808-144 1-(furan-2-ylmethyl)-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine CHEMBL1529652 HMS2400C20 STK828668 585557-32-0 MLS002582722 BDBM50791 cid_663121 regid861895 3-(benzenesulfonyl)-1-(2-furanylmethyl)-2-pyrrolo[3,2-b]quinoxalinamine [ Show all ]
Inchi Key	CYWCPVXKHNAXDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H16N4O3S/c22-20-19(29(26,27)15-8-2-1-3-9-15)18-21(25(20)13-14-7-6-12-28-14)24-17-11-5-4-10-16(17)23-18/h1-12H,13,22H2
PubChem CID	663121
ChEMBL	CHEMBL1529652
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	18356.4 nM	PubChem BioAssay data set	ChEMBL

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