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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	MLS000040609
Molecular formula	C17H20N4O
IUPAC name	9-methoxy-4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
Molecular weight	296.374
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	9-methoxy-4-(3-methyl-1-piperidinyl)-5H-pyrimido[5,4-b]indole CHEMBL1300327 MCULE-2689992902 BDBM97063 SMR000044316 9-methoxy-4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole cid_663629 AC1LD9VU 844654-59-7 STL342795 9-methoxy-4-(3-methylpiperidino)-5H-pyrimid[5,4-b]indole HMS2466J04 AKOS022120420 MolPort-002-608-747 [ Show all ]
Inchi Key	AIJBVQPEQXKJFG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N4O/c1-11-5-4-8-21(9-11)17-16-15(18-10-19-17)14-12(20-16)6-3-7-13(14)22-2/h3,6-7,10-11,20H,4-5,8-9H2,1-2H3
PubChem CID	663629
ChEMBL	CHEMBL1300327
IUPHAR	N/A
BindingDB	97063
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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