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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	3-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1h-indole
Molecular formula	C17H19N5
IUPAC name	3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-indole
Molecular weight	293.374
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.0
Synonyms	SR-01000010007 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-indole GKKBEFXMNBECNL-UHFFFAOYSA-N MolPort-000-739-026 NSC713724 ZINC59857731 AC1L8GPQ HMS3312F14 Piperazine, 1-(3-indolylmethyl)-4-(2-pyrimidyl)- CHEMBL1597217 MCULE-5228574574 SR-01000010007-1 HMS1424J08 NCI60_039564 Oprea1_412143 AKOS022095992 IDI1_010185 SMR000037937 3-([4-(2-Pyrimidinyl)-1-piperazinyl]methyl)-1H-indole # CTK5J7493 MLS000038534 STL332686 371137-40-5 HMS2157J24 NSC-713724 Oprea1_826947 IFLab1_004430 [ Show all ]
Inchi Key	GKKBEFXMNBECNL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N5/c1-2-5-16-15(4-1)14(12-20-16)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h1-7,12,20H,8-11,13H2
PubChem CID	401019
ChEMBL	CHEMBL1597217
IUPHAR	N/A
BindingDB	N/A
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	6309.6 nM	PubChem BioAssay data set	ChEMBL

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