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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	SMR000111657
Molecular formula	C17H18N2O
IUPAC name	phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
Molecular weight	266.344
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.0
Synonyms	HMS1518O07 phenyl[1-(propan-2-yl)-1H-benzimidazol-2-yl]methanol AKOS001515379 MLS000107285 1-Isopropyl-2-(alpha-hydroxybenzyl)-1H-benzimidazole CCG-146474 ChemDiv3_016155 phenyl-(1-propan-2-yl-2-benzimidazolyl)methanol AB00088583-01 HMS2476H16 (1-Isopropyl-1H-benzoimidazol-2-yl)-phenyl-methanol AKOS022048765 MolPort-002-116-376 162891-16-9 cid_2851813 phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol AC1ME9Y5 MCULE-5177122336 STL298161 (1-isopropylbenzimidazol-2-yl)-phenyl-methanol BDBM48980 CHEMBL1363951 Oprea1_801736 [ Show all ]
Inchi Key	CCGMKVCKAXTOGX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h3-12,16,20H,1-2H3
PubChem CID	2851813
ChEMBL	CHEMBL1363951
IUPHAR	N/A
BindingDB	48980
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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