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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	MLS000114342
Molecular formula	C18H18ClNO3
IUPAC name	5-chloro-2-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Molecular weight	331.796
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.2
Synonyms	cid_2930337 AKOS000590665 5-chloro-2-(3,4-dihydro-1H-2-benzopyran-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione BDBM42484 REGID_for_CID_2930337 5-Chloro-2-isochroman-3-ylmethyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione HMS2265J09 AKOS030485408 MolPort-001-998-481 5-chloro-2-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Cambridge id 7207082 CHEMBL1468490 SMR000091747 AC1MG4LD MCULE-8767302281 5-chloranyl-2-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione BAS 04880002 CCG-22137 regid7967718 5-chloro-2-(isochroman-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone [ Show all ]
Inchi Key	AWCKGOAGXDNJHN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18ClNO3/c19-13-5-6-15-16(8-13)18(22)20(17(15)21)9-14-7-11-3-1-2-4-12(11)10-23-14/h1-5,14-16H,6-10H2
PubChem CID	2930337
ChEMBL	CHEMBL1468490
IUPHAR	N/A
BindingDB	42484
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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