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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	aspartame
Molecular formula	C14H18N2O5
IUPAC name	(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	294.307
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	-2.7
Synonyms	NCGC00091104-05 Aspartamo [INN-Spanish] OR350295 C11045 SC 18862 CS-2418 Spectrum3_001949 DSSTox_RID_75371 (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid H-Asp-Phe-OMe 22839-47-0 Jsp004609 AB00376622_08 L-Aspartyl-L-phenylalanyl methyl ester AK-47609 Methyl L-aspartyl-L-phenylalanine Asp-Phe methyl ester SY012642 N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER ASPARTAME (SEE ALSO (TRANSGENIC MODEL EVALUATION II (ASPARTAME)) UNII-Z0H242BBR1 Aspartame, European Pharmacopoeia (EP) Reference Standard NCGC00256407-01 aspartyl-phenylalanine methyl ester Pharmakon1600-01505306 CCG-39444 SCHEMBL3636 E951 (S)-3-amino-4-((S)-1-methoxy-1-oxo-3-phenylpropan-2-ylamino)-4-oxobutanoic acid HMS2233D15 3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid L-Aspartyl-L-3-phenylalanine methyl ester AB2000441 M-4739 alpha-L-Aspartyl-L-Phenylalanine Methyl Ester SR-05000001682-1 MLS001066421 Asp-phe-ome Tox21_111080_1 N-L-alpha-Aspartyl-L-phenylalanineMethylEster Aspartame, United States Pharmacopeia (USP) Reference Standard NSC758953 BRD-K78841970-001-06-2 SBB006713 SPECTRUM1505306 DSSTox_CID_107 FT-0627714 1-Methyl N-L-alpha-aspartyl-L-phenylalanine IAOZJIPTCAWIRG-QWRGUYRKSA-N 7421-84-3 L-Aspartyl-L-phenylalanine methyl ester, 96% AC1Q41IK Methyl L-alpha-aspartyl-L-phenylalanate APM;Canderel;L-alpha-aspartyl-L-phenylalanine-methylester;(S)-3-Amino-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid SW219179-1 N-(L-a-Aspartyl)-L-phenylalanine methyl ester Tox21_302965 NCGC00091104-03 NCGC00095160-01 Aspartamum Pal Sweet Canderel SC-17477 D00MFA SR-05000001682 DTXSID0020107 (3S)-3-{N-[(1S)-1-(methoxycarbonyl)-2-phenylethyl]carbamoyl}-3-aminopropanoic acid HMS1922B16 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester KBio3_002839 AB00376622_09 L-Phenylalanine, L-alpha-aspartyl-, 2-methyl ester AKOS015920055 Methyl N-L-alpha-aspartyl-L-phenylalaninate Asp-Phe methyl ester, >=98% TC-308713 N-L-alpha-Aspartyl-L-phenylalanine 1-methyl ester Aspartame [USAN:INN:BAN:NF] Z0H242BBR1 Aspartame, L,L-alpha- NCGC00259864-01 Aspartylphenylalanine methyl ester s2036 CCRIS 5456 SMR000471870 DB00168 EINECS 245-261-3 (S)-3-amino-n-((s)-1-methoxycarbonyl-2-phenyl-ethyl)-succinamic acid HSDB 3915 39A470 L-aspartyl-L-phenyl-alanine methyl ester AC-12293 MCULE-7493691716 AM20060556 ST24032106 MLS001306461 Aspartam Tox21_111459 NCGC00091104-01 NCGC00091104-04 Aspartamo Nutrasweet BSPBio_003549 SBI-0206757.P001 CHEMBL171679 Spectrum2_001706 DSSTox_GSID_20107 (3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid GE0967 172964-81-7 J-502447 A0997 L-Aspartyl-L-phenylalanine methyl ester, 98% AJ-26753 methyl L-alpha-aspartyl-L-phenylalaninate AS-13889 Sweet dipeptide N-(L-alpha-Aspartyl)-L-phenylalanine methyl ester Aspartame (NF/INN) TRANSGENIC MODEL EVALUATION II (ASPARTAME) NCGC00095160-03 Aspartamum [INN-Latin] Palsweet Diet CAS-22839-47-0 SC-18862 D02381 E 951 (S)-3-Amino-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid HMS2093B05 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer KS-00000AID AB0058040 L-Phenylalanine, N-L-alpha-aspartyl-, 1-methyl ester alpha-aspartyl-phenylalanine methyl ester MFCD00002724 Asp-Phe methyl ester, >=99.0% (HPLC) Tox21_111080 N-L-alpha-Aspartyl-L-phenylalanine methyl ester Aspartame, analytical standard ZINC1532132 Aspartame, Pharmaceutical Secondary Standard; Certified Reference Material NSC-758953 BR-47609 Sanecta CHEBI:2877 SPBio_001692 Dipeptide sweetener Epitope ID:164026 1-Methyl N-L-alpha-aspartyl-L-phenylalanate HY-B0361 53906-69-7 L-Aspartyl-L-phenylalanine methyl ester AC1L34VS Methyl aspartylphenylalanate AM84801 Succinamic acid, 3-amino-N-(alpha-carboxyphenethyl)-, N-methyl ester, stereoisomer MolPort-001-792-024 Aspartam [INN-French] Tox21_202315 NCGC00091104-02 [ Show all ]
Inchi Key	IAOZJIPTCAWIRG-QWRGUYRKSA-N
Inchi ID	InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
PubChem CID	134601
ChEMBL	CHEMBL171679
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB00168
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	1584.9 nM	PubChem BioAssay data set	ChEMBL

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