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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	SMR000032427
Molecular formula	C17H19N3O3
IUPAC name	2-(3-morpholin-4-yl-3-oxopropyl)-6-phenylpyridazin-3-one
Molecular weight	313.357
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	0.5
Synonyms	2-(3-morpholin-4-yl-3-oxidanylidene-propyl)-6-phenyl-pyridazin-3-one 2-[3-(4-morpholinyl)-3-oxopropyl]-6-phenyl-3-pyridazinone cid_3240222 BDBM89666 IDI1_029681 2-(3-morpholin-4-yl-3-oxopropyl)-6-phenylpyridazin-3(2H)-one CHEMBL1541929 SR-01000145447 AC1MMKM8 HMS1511H01 2-(3-keto-3-morpholino-propyl)-6-phenyl-pyridazin-3-one BRD-K04549475-001-01-1 MLS000046416 2-(3-morpholin-4-yl-3-oxopropyl)-6-phenylpyridazin-3-one ChemDiv3_013531 SR-01000145447-1 AKOS002132169 HMS2544C15 [ Show all ]
Inchi Key	AAZLYLAIDHSNHB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N3O3/c21-16(19-10-12-23-13-11-19)8-9-20-17(22)7-6-15(18-20)14-4-2-1-3-5-14/h1-7H,8-13H2
PubChem CID	3240222
ChEMBL	CHEMBL1541929
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	31622.8 nM	PubChem BioAssay data set	ChEMBL

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