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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	Telenzepine
Molecular formula	C19H22N4O2S
IUPAC name	1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
Molecular weight	370.471
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.7
Synonyms	API0015667 BY-802 CHEMBL253978 GTPL8594 LS-177594 NCGC00015987-07 Prestwick2_000303 Telenzepine dihydrochloide Tocris-1122 4,9-Dihydro-3-methyl-4-((4-methyl-1-piperazinyl)acetyl)-10H-thieno(3,4-b)(1,5)benzodiazepin-10-one BRD-K06147391-003-01-9 CAS-80880-90-6 D0FX4J HMS3374A10 NCGC00015987-02 NCGC00025013-02 SCHEMBL49345 Telenzepine [INN] Tox21_110274_1 4,9-Dihydro-3-methyl-4beta-[(4-methyl-1-piperazinyl)acetyl]-10H-thieno[3,4-b][1,5]benzodiazepin-10-one BSPBio_000266 CHEBI:92110 DSSTox_RID_80752 Lopac-T-122 NCGC00015987-05 Prestwick0_000303 Spectrum3_001839 Telenzepinum 3-methyl-4-(2-(4-methylpiperazin-1-yl)acetyl)-4H-benzo[b]thieno[3,4-e][1,4]diazepin-10(9H)-one ZINC19796161 BDBM82376 C19H22N4O2S CTK6I3128 HMS2089M03 MLS000069348 NCGC00015987-09 Prestwick3_000303 Telenzepine dihydrochloride hydrate (+)-Telenzepine Tox21 110274 4,9-Dihydro-3-methyl-4-[(4-methyl-1-piperazinyl)acetyl]-10H-thieno[3,4-b][1,5]benzodiazepin-10-one dihydrochloride BRD-K06147391-300-03-5 CAS_80880-90-6 DSSTox_CID_25209 KBio3_003022 NCGC00015987-03 NCGC00025013-03 SMR000058848 Telenzepino 0990EG3K10 UNII-0990EG3K10 80880-90-6 AC1L1K8Q BSPBio_003517 DTXSID5045209 Lopac0_001204 NCGC00015987-06 Prestwick1_000303 Telenzepinum [Latin] 3-methyl-4-[(4-methylpiperazin-1-yl)acetyl]-4,9-dihydro-10h-thieno[3,4-b][1,5]benzodiazepin-10-one [3H](+)telenzepine BPBio1_000294 CAS-147416-96-4 D08XDK HMS2235P06 NCGC00015987-01 NCGC00025013-01 SBI-0051171.P002 Telenzepine hydrochloride (-)-Telenzepine Tox21_110274 4,9-Dihydro-3-methyl-4alpha-[(4-methyl-1-piperazinyl)acetyl]-10H-thieno[3,4-b][1,5]benzodiazepin-10-one BRD-K06147391-300-04-3 CCG-205278 DSSTox_GSID_45209 L001013 NCGC00015987-04 NSC_5387 SPBio_002485 Telenzepino [Spanish] 1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one VSWPGAIWKHPTKX-UHFFFAOYSA-N [ Show all ]
Inchi Key	VSWPGAIWKHPTKX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25)
PubChem CID	5387
ChEMBL	CHEMBL253978
IUPHAR	8594
BindingDB	82376
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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