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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.
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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	BHPI
Molecular formula	C21H17NO3
IUPAC name	3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
Molecular weight	331.371
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	3.6
Synonyms	EU-0079779 MolPort-001-667-514 3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one AB00105948-01 CCG-21503 HY-12825 SCHEMBL5478375 3,3-bis(4-hydroxyphenyl)-7-methylindolin-2-one AOB5365 cid_3860640 MLS-0096071.0001 SR-01000502745-1 1,3-Dihydro-3,3-bis(4-hydroxyphenyl)-7-methyl-2H-indol-2-one 56632-39-4 DNDI1417434 FABLAHMQSQFDHR-UHFFFAOYSA-N NCGC00408892-01 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one AC1MYQB4 KS-00001D1Q SMR000194821 3,3-bis-(4-hydroxy-phenyl)-7-methyl-2-indolinone AS-16880 CS-4205 MLS000573319 ZINC4302867 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxyphenyl)-7-methyl- Cambridge id 6373538 DTXSID00397487 HMS2153B10 REGID_for_CID_3860640 3,3-bis(4-hydroxyphenyl)-7-methyl-oxindole AKOS000350526 CHEMBL394883 MCULE-6280329543 SR-01000502745 3,3-bis-(4-hydroxyphenyl)-7-methyl-2 -indolinone BDBM61491 CTK1F4188 [ Show all ]
Inchi Key	FABLAHMQSQFDHR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H17NO3/c1-13-3-2-4-18-19(13)22-20(25)21(18,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3,(H,22,25)
PubChem CID	3860640
ChEMBL	CHEMBL394883
IUPHAR	N/A
BindingDB	61491
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	75686.3 nM	PubChem BioAssay data set	ChEMBL

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