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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	SDZ-205557
Molecular formula	C14H21ClN2O3
IUPAC name	2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight	300.783
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.2
Synonyms	NCGC00015916-03 Sdz 205,557 2-diethylaminoethyl 4-amino-5-chloro-2-methoxybenzoate AC1Q3LU5 BRD-K15868788-001-01-4 DTXSID90160102 NCGC00092301-02 SDZ-205-557 2-Methoxy-4-amino-5-chlorobenzoic acid 2-(diethylamino)ethyl ester BDBM50056401 CHEBI:92288 Lopac-S-174 LS-187597 PDSP2_001652 137196-67-9 Biomol-NT_000157 CTK4C0686 NCGC00015916-04 SDZ 205-557 2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]benzoate ACMC-20cut4 BRD-K15868788-003-02-8 GTPL258 NCGC00092301-03 Benzoic acid, 4-amino-5-chloro-2-methoxy-, 2-(diethylamino)ethyl ester Lopac0_001153 NCGC00015916-01 SCHEMBL1038983 2-(Diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate AC1L1JSU BPBio1_000574 D0W8EP NCGC00015916-05 SDZ 205557 2-methoxy-4-amino-5-chloro-benzoic acid 2-(diethylamino) ethyl ester AKOS030238974 CCG-205227 L001009 PDSP1_001668 ZINC1544798 4-Amino-5-chloro-2-methoxy-benzoic acid 2-diethylamino-ethyl ester Benzoic acid,4-amino-5-chloro-2-methoxy-, 2-(diethylamino)ethyl ester CHEMBL287045 LS-186950 [ Show all ]
Inchi Key	FFNWMBDISAYHDC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
PubChem CID	5191
ChEMBL	CHEMBL287045
IUPHAR	258
BindingDB	50056401
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	398.1 nM	PubChem BioAssay data set	ChEMBL

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