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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	DH 97
Molecular formula	C22H26N2O
IUPAC name	N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
Molecular weight	334.463
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	4.9
Synonyms	SR-01000597373 BRD-K06014311-001-01-2 DTXSID90392749 N-pentanoyl 2-benzyltryptamine ZINC2581407 AC1MRF3Z CHEMBL1327247 HMS3267D11 N-[2-(2-Benzyl-1H-indole-3-yl)ethyl]pentanamide RT-012298 BDBM85384 MolPort-003-983-554 SR-01000597373-1 343263-95-6 CHEBI:92107 FT-0763744 N-Pentanoyl-2-benzyltryptamine NCGC00025049-01 ACM343263956 CTK8E7620 J-019556 SCHEMBL1626901 220339-00-4 BN0182 DH97 N-(2-(2-Benzyl-1H-indol-3-yl)ethyl)pentanamide Tocris-1218 GTPL3366 N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide NCGC00025049-02 AKOS024456472 D0XX9Y Luzindole,N-pentanoyl [ Show all ]
Inchi Key	HDOIPCLEKCEANF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
PubChem CID	3467177
ChEMBL	CHEMBL1327247
IUPHAR	3366
BindingDB	85384
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	31622.8 nM	PubChem BioAssay data set	ChEMBL

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