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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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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	MLS000060886
Molecular formula	C20H16N2O2
IUPAC name	2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
Molecular weight	316.36
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.0
Synonyms	1-(2-Hydroxybenzyl)-2-(2-hydroxyphenyl)-1H-benzoimidazole AC1O9WC5 SMR000069114 6-[3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one BRD-K52510091-001-01-8 HMS2425F06 ST4004532 (6E)-6-[3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one A0348/0016042 CBKinase1_012441 MolPort-002-111-403 2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol AKOS001711824 CHEMBL1567983 SR-01000508344 (6E)-6-(3-salicyl-1H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one CBDivE_008356 MCULE-8920412113 STK021091 1-(2'-hydroxybenzyl)-2-(2'-hydroxyphenyl) benzimidazole AC1NU0WN CHEBI:121951 Oprea1_682577 2-{[2-(2-hydroxyphenyl)benzimidazolyl]methyl}phenol BDBM61780 cid_5392294 SR-01000508344-1 (6E)-6-[3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-ylidene]-1-cyclohexa-2,4-dienone 85573-12-2 CBKinase1_000041 ZINC95788057 [ Show all ]
Inchi Key	AGSGFBQWNNZFBC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H16N2O2/c23-18-11-5-1-7-14(18)13-22-17-10-4-3-9-16(17)21-20(22)15-8-2-6-12-19(15)24/h1-12,23-24H,13H2
PubChem CID	682797
ChEMBL	CHEMBL1567983
IUPHAR	N/A
BindingDB	61780
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	10000.0 nM	PubChem BioAssay data set	ChEMBL
Potency	12589.3 nM	PubChem BioAssay data set	ChEMBL

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