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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	Coumarin-3-carboxylic acid
Molecular formula	C10H6O4
IUPAC name	2-oxochromene-3-carboxylic acid
Molecular weight	190.154
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.2
Synonyms	Z56824632 ACMC-20aldi BBL005487 CHEMBL83294 DTXSID70201183 G 1 (VAN) Malonic acid, salicylidene-, .delta.-lactone NE19815 NSC53239 SR-01000389273-1 2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO- 3-Carboxycoumarin AI3-36066 BP-11788 Coumarin-3-carboxylic acid, 99% FT-0624080 I04-9979 MFCD00006852 NSC-14797 RTR-050564 2-Oxo-2H-1-benzopyran-3-carboxylic acid STK298836 V85UOV8788 AC1L1VVE AZ0001-0134 CCG-42658 D0H3NS G 1 (The rodenticide) LS-39224 NCI60_001013 NSC14797 SMR000015715 2-Oxobenzopyran-3-carboxylic acid 3-carboxy coumarine ZINC67688 ACMLKANOGIVEPB-UHFFFAOYSA-N BDBM50131066 EINECS 208-518-0 HMS1414C16 Malonic acid, salicylidene-, delta-lactone NSC 14797 Oprea1_710975 SR-01000389273-3 5046AE AKOS000104806 BRN 0154276 COUMARIN-3-CARBOXYLICACID G 1 IFLab1_000764 MLS000100456 NSC-44926 SBB015268 2-Oxo-2H-chromene-3-carboxylic acid TR-050564 WLN: T66 BOVJ DVQ AC1Q73UV BB 0217624 DB-052267 G 1 (The rodenticide) (VAN) Malonic acid, .delta.-lactone NCI60_004309 NSC44926 SR-01000389273 2-Oxochromene-3-carboxylic acid 3-carboxy-coumarin AE-641/00583032 Benzopyran-3-carboxylic acid, 2H-1-, 2-oxo Coumarin-3-carboxylic acid, 98% F0266-1412 HMS2250I22 MCULE-6770545200 NSC 53239 PubChem11094 ST45161652 UNII-V85UOV8788 531-81-7 AN-45627 CBDivE_014214 CTK1D6926 G 1 (rodenticide) KS-00000FYD MolPort-000-656-225 NSC-53239 SCHEMBL93571 2-Oxo-2H-chromene-3-carboxylic acid # [ Show all ]
Inchi Key	ACMLKANOGIVEPB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
PubChem CID	10752
ChEMBL	CHEMBL83294
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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