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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	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	AC1LD9VU STL342795 844654-59-7 9-methoxy-4-(3-methylpiperidino)-5H-pyrimid[5,4-b]indole HMS2466J04 AKOS022120420 MolPort-002-608-747 CHEMBL1300327 9-methoxy-4-(3-methyl-1-piperidinyl)-5H-pyrimido[5,4-b]indole MCULE-2689992902 BDBM97063 SMR000044316 cid_663629 9-methoxy-4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole [ 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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