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GLASS

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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	4-(2-Aminoethyl)-2-methoxyphenol
Molecular formula	C9H13NO2
IUPAC name	4-(2-aminoethyl)-2-methoxyphenol
Molecular weight	167.208
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.2
Synonyms	AB0025476 ANW-47870 CAS_1477-68-5 D09ERP JCH2767EDP NCGC00015674-01 RP23021 Tyramine, 3-methoxy- 3-Methoxy-4-hydroxyphenylethyl amine 4-hydroxy-3-methoxyphenethylamine AC1Q4FDS bmse000929 EC 611-267-3 Lopac-M-4251 NCGC00162257-01 SC-23404 0F899116-F44F-422B-B36A-7F12600FCCBD ZINC119675 3-O-methyldopamine 5-(2-aminoethyl)guaiacol AN-2460 C05587 CS-0028515 GTPL6642 MolPort-001-787-378 Phenol,5-(2-aminoethyl)-2-methoxy- ST50308633 2-(4-hydroxy-3-methoxyphenyl)-ethylamine AC-6711 BC652763 CCG-204880 DB-031871 KB-33674 NCGC00015674-02 S-6469 UNII-JCH2767EDP 3-Methoxytyramine 4-hydroxy-3-methoxyphenylethylamine 554-52-9 AJ-11609 bmse000958 CHEMBL1160785 EN002219 Lopac0_000796 NCGC00162257-02 SCHEMBL68386 1477-68-5 (hydrochloride) 4-(2-Amino-ethyl)-2-methoxy-phenol A8025 AN-368 CA-1897 CTK4G8271 HY-103638A MT-3 Q-102400 TC-061232 3-Methoxy-4-hydroxyphenethylamine 4-(2-Aminoethyl)-2-methoxyphenol # AC1L1BYX BDBM85380 CHEBI:1582 DIVQKHQLANKJQO-UHFFFAOYSA-N L000765 NCGC00015674-03 SBB003882 W6947 3-MT 4CH-000748 554A529 AKOS000161280 BR-49905 cid_11957621 FT-0711461 MCULE-3695866663 Phenol, 4-(2-aminoethyl)-2-methoxy- ST2405319 2-(4-hydroxy-3-methoxy-phenyl)-ethylamine 4-(2-aminoethyl)-2-methoxy-Phenol [ Show all ]
Inchi Key	DIVQKHQLANKJQO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
PubChem CID	1669
ChEMBL	CHEMBL1160785
IUPHAR	N/A
BindingDB	85380
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	125.9 nM	PubChem BioAssay data set	ChEMBL

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