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GLASS

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GPCR

Name	Thyrotropin receptor
Species	Homo sapiens (Human)
Gene	TSHR
Synonym	LGR3 Thyroid-stimulating hormone receptor Thyrotropin Receptor TSH receptor TSH-R
Disease	Thyroid cancer diagnosis Diagnostic test to differentiate primary and secondary hypothyroidism Thyroid cancer
Length	764
Amino acid sequence	MRPADLLQLVLLLDLPRDLGGMGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPDALKELPLLKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSGPSLLDVSQTSVTALPSKGLEHLKELIARNTWTLKKLPLSLSFLHLTRADLSYPSHCCAFKNQKKIRGILESLMCNESSMQSLRQRKSVNALNSPLHQEYEENLGDSIVGYKEKSKFQDTHNNAHYYVFFEEQEDEIIGFGQELKNPQEETLQAFDSHYDYTICGDSEDMVCTPKSDEFNPCEDIMGYKFLRIVVWFVSLLALLGNVFVLLILLTSHYKLNVPRFLMCNLAFADFCMGMYLLLIASVDLYTHSEYYNHAIDWQTGPGCNTAGFFTVFASELSVYTLTVITLERWYAITFAMRLDRKIRLRHACAIMVGGWVCCFLLALLPLVGISSYAKVSICLPMDTETPLALAYIVFVLTLNIVAFVIVCCCYVKIYITVRNPQYNPGDKDTKIAKRMAVLIFTDFICMAPISFYALSAILNKPLITVSNSKILLVLFYPLNSCANPFLYAIFTKAFQRDVFILLSKFGICKRQAQAYRGQRVPPKNSTDIQVQKVTHDMRQGLHNMEDVYELIENSHLTPKKQGQISEEYMQTVL
UniProt	P16473
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T60606
ChEMBL	CHEMBL1963
IUPHAR	255
DrugBank	N/A

Ligand

Name	DEXMEDETOMIDINE
Molecular formula	C13H16N2
IUPAC name	5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
Molecular weight	200.285
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.1
Synonyms	4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole AB01566872_02 CHEBI:4466 DB00633 Dexmedetomidine [USAN:INN:BAN] MolPort-035-395-718 SC-78886 (+)-4-((S)-alpha,2,3-Trimethylbenzyl)imidazole 113775-47-6 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole AKOS025149503 CTK8E7442 Dexmedetomidin Dexmedetomidinum [INN-Latin] NCGC00025347-01 Tocris-2023 2371AH 67VB76HONO BDBM50085683 D0U3DU KS-00000G0F s3075 UNII-MR15E85MQM component CUHVIMMYOGQXCV-NSHDSACASA-N 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-3H-imidazole AC1NSJXT Dexdor DexmedetomidineHclC13H16N2.Hcl MPV 1440 SCHEMBL26433 (S)-5-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole 1H-Imidazole, 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]- AKOS026750524 CUHVIMMYOGQXCV-NSHDSACASA-N Dexmedetomidina FT-0666307 Precedex (TN) TPU 006 4-[(1S)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazol AB01566872_01 C07450 Dexmedetomidine (USAN/INN) MCULE-5424054659 SB17478 ZINC4632106 (+)-(S)-4-[1-(2,3-dimethylphenyl) ethyl]-1H -imidazole monohydrochloride 4-[(s)-1-(2,3-dimethyl-phenyl)-ethyl]-1h-imidazole AK310842 CHEMBL778 Dexdor (TN) Dexmedetomidinum MPV-1440 SW219607-1 108D583 1H-Imidazole,5-[(1S)-1-(2,3-dimethylphenyl)ethyl]- API0000529 D00514 Dexmedetomidina [INN-Spanish] GTPL521 RT-012294 UNII-67VB76HONO [ Show all ]
Inchi Key	CUHVIMMYOGQXCV-NSHDSACASA-N
Inchi ID	InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
PubChem CID	5311068
ChEMBL	CHEMBL778
IUPHAR	521
BindingDB	50085683
DrugBank	DB00633
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	31622.8 nM	PubChem BioAssay data set	ChEMBL

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