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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	MLS001116411
Molecular formula	C22H27ClFN3O2S
IUPAC name	4-chloro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
Molecular weight	451.985
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.6
Synonyms	4-chloro-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide HMS2929O16 BDBM91037 MLS003880607 4-chloro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide CHEMBL1711436 AKOS001512863 MCULE-6306605577 4-chloranyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide CCG-143160 MolPort-007-686-590 4-chloro-N-[2-[4-(2-fluorophenyl)piperazino]cyclohexyl]benzenesulfonamide cid_23604969 AKOS022045384 4-chloro-N-[2-[4-(2-fluorophenyl)-1-piperazinyl]cyclohexyl]benzenesulfonamide SMR000625526 [ Show all ]
Inchi Key	FFNDTDNFSMPSTD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27ClFN3O2S/c23-17-9-11-18(12-10-17)30(28,29)25-20-6-2-4-8-22(20)27-15-13-26(14-16-27)21-7-3-1-5-19(21)24/h1,3,5,7,9-12,20,22,25H,2,4,6,8,13-16H2
PubChem CID	23604969
ChEMBL	CHEMBL1711436
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	2310.9 nM	PubChem BioAssay data set	ChEMBL

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