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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000573697
Molecular formula	C17H21Cl3N4OS2
IUPAC name	3-methyl-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]butanamide
Molecular weight	467.852
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	5.6
Synonyms	BRD-A55497692-001-05-1 HMS2355F23 UPCMLD0ENAT0501-0798:001 3-methyl-N-[2,2,2-trichloro-1-[[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]ethyl]butanamide AC1MD3ZV CDS1_003556 MLS002539594 3-methyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)butanamide BDBM57424 cid_2830524 SMSF0003817 3-methyl-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]butanamide 3-methyl-N-[2,2,2-tris(chloranyl)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]butanamide CB14050 MCULE-3870234005 Z56764619 AKOS001035055 MolPort-000-418-630 3-methyl-N-[2,2,2-trichloro-1-({[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonothioyl}amino)ethyl]butanamide BIM-0010989.P001 DivK1c_004596 STK808754 3-methyl-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]ethyl]butyramide 302941-07-7 CBMicro_010980 AKOS016288693 CHEMBL1409680 SMR000184547 3-METHYL-N-[2,2,2-TRICHLORO-1-({[(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)AMINO]CARBOTHIOYL}AMINO)ETHYL]BUTANAMIDE [ Show all ]
Inchi Key	ACCZQFYCWSMYTA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21Cl3N4OS2/c1-9(2)7-13(25)22-15(17(18,19)20)24-16(26)23-14-11(8-21)10-5-3-4-6-12(10)27-14/h9,15H,3-7H2,1-2H3,(H,22,25)(H2,23,24,26)
PubChem CID	2830524
ChEMBL	CHEMBL1409680
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	23934.1 nM	PubChem BioAssay data set	ChEMBL

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