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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	MLS000087136
Molecular formula	C23H21ClN4O4
IUPAC name	N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
Molecular weight	452.895
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BDBM37291 SMR000023359 CHEMBL1401044 N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(3,4-dimethoxyphenyl)isoxazole-3-carboxamide [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]-N-{1-[(4-chlorophenyl)methyl]-5-methylp yrazol-3-yl}carboxamide AC1MMDSW HMS2435N12 N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide CHEBI:116740 MLS001367838 ST50677527 cid_3237184 N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-5-(3,4-dimethoxyphenyl)isoxazole-3-carboxamide AKOS001797546 MCULE-4407649448 N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide MolPort-006-843-487 ZINC4111483 EU-0057165 N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide [ Show all ]
Inchi Key	AAXMQQXWRPGRCS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
PubChem CID	3237184
ChEMBL	CHEMBL1401044
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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