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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	MLS000109191
Molecular formula	C21H15N5O2S
IUPAC name	2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]isoindole-1,3-dione
Molecular weight	401.444
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.4
Synonyms	2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]isoindole-1,3-dione BAS 01313701 HMS2300D23 SR-01000427109-1 2-{[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione CBMicro_037185 MolPort-001-961-254 2-(9-Allyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanylmethyl)-isoindole-1,3-dione AC1MEC8E cid_2876123 SMR000105137 2-[[(5-allyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]methyl]isoindoline-1,3-quinone BDBM51594 MCULE-2531863735 STK720049 A1956/0082252 Oprea1_225880 2-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione AKOS000559008 EU-0085333 SR-01000427109 2-[[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]isoindole-1,3-dione BIM-0037274.P001 ZINC707678 AB00100673-01 CHEMBL1345233 Oprea1_530086 [ Show all ]
Inchi Key	ABYATXRNYMANLA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H15N5O2S/c1-2-11-25-16-10-6-5-9-15(16)17-18(25)22-21(24-23-17)29-12-26-19(27)13-7-3-4-8-14(13)20(26)28/h2-10H,1,11-12H2
PubChem CID	2876123
ChEMBL	CHEMBL1345233
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	5011.9 nM	PubChem BioAssay data set	ChEMBL

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