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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.
Go to the GPCR page and check other ligands which interact with it.
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	DIETHYL ETHYLPHOSPHONATE
Molecular formula	C6H15O3P
IUPAC name	1-[ethoxy(ethyl)phosphoryl]oxyethane
Molecular weight	166.157
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.6
Synonyms	C-42398 DB-056306 DSSTox_CID_5051 Ethylphosphonic acid, diethyl ester LS-1745 NSC2671 UNII-Y52Q01P44T AATNZNJRDOVKDD-UHFFFAOYSA-N AC1Q6SSL DTXSID7025051 HSDB 2560 NCGC00091203-01 RTR-032455 ZX-AT007203 1-(ethoxy-ethylphosphoryl)oxyethane AKOS015839010 CJ-26467 Diethylethylphosphonate Ethanephosphonic acid, diethyl ester KB-76560 NSC 2671 Tox21_200361 2276AC AC1L1MQP CAS-78-38-6 Diethoxyethylphosphine oxide DSSTox_GSID_25051 FCH1115939 MLS001050132 Phosphonic acid, ethyl-, diethyl ester Y52Q01P44T ACMC-20al8u CHEMBL1299387 Diethyl ethylphosphonate, >=98.0% (GC) E0483 I14-4559 NCGC00091203-02 SCHEMBL26483 1-[ethoxy(ethyl)phosphoryl]oxyethane Amgard v 490 CTK3J2901 Dimethyl methylphosphonate(DEEP) Ethylphosphonic Acid Diethyl Ester KSC492S0D NSC-2671 TR-032455 78-38-6 AC1Q38AP CCRIS 6230 Diethyl ethanephosphonate DSSTox_RID_77642 FT-0624781 MolPort-001-759-626 Phosphonic acid, P-ethyl-, diethyl ester ZINC1641072 AI3-18558 CJ-05877 Diethylethanephosphonate EINECS 201-111-9 InChI=1/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H NCGC00257915-01 SMR001216581 150103-83-6 [ Show all ]
Inchi Key	AATNZNJRDOVKDD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3
PubChem CID	6534
ChEMBL	CHEMBL1299387
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	6309.6 nM	PubChem BioAssay data set	ChEMBL

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