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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	D-AP4
Molecular formula	C4H10NO5P
IUPAC name	(2R)-2-amino-4-phosphonobutanoic acid
Molecular weight	183.1
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	-5.5
Synonyms	78739-01-2 Butanoic acid, 2-amino-4-phosphono-, (2R)- D-APB MolPort-004-956-473 SR-01000597691 AKOS024456336 CHEMBL1319383 FT-0772107 NCGC00024466-01 Tocris-0102 (r)-2-amino-4-phosphonobutyric acid BDBM82006 D-(-)-2-Amino-4-phosphonobutyric acid Lopac-A-1910 PDSP2_000359 C-55168 D0G7TT NCGC00015041-01 SR-01000597691-1 (2R)-2-amino-4-phosphonobutanoic acid API0009835 CTK2I0929 GTPL1443 NCGC00024467-01 UNII-H8B59H10OK component DDOQBQRIEWHWBT-GSVOUGTGSA-N BN0083 M01255 SCHEMBL12648443 AC1LT3KN FCH3604711 NCGC00015041-02 Tocris-0101 (R)-2-Amino-4-phosphonobutanoic acid B6201 d(-)-2-amino-4-phosphonobutyric acid I04-1600 PDSP1_000361 ZINC1656225 [ Show all ]
Inchi Key	DDOQBQRIEWHWBT-GSVOUGTGSA-N
Inchi ID	InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m1/s1
PubChem CID	1550579
ChEMBL	CHEMBL1319383
IUPHAR	1443
BindingDB	82006
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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