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GPCR

Name	Parathyroid hormone/parathyroid hormone-related peptide receptor
Species	Homo sapiens (Human)
Gene	PTH1R
Synonym	PTH1 receptor PTHR PTH/PTHrP type I receptor PTH/PTHr receptor PPR Parathyroid hormone 1 receptor PTHR1 [ Show all ]
Disease	N/A
Length	593
Amino acid sequence	MGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPASIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPLGAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETREREVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVKDAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWILVEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKKWIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVHYIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLALDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKPGTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM
UniProt	Q03431
Protein Data Bank	6fj3, 3h3g, 3c4m
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 6fj3.
BioLiP	BL0161387, BL0433539,BL0433540, BL0161388, BL0143680,BL0143682, BL0143681,BL0143683
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1793
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	hesperetin
Molecular formula	C16H14O6
IUPAC name	(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular weight	302.282
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.4
Synonyms	AC1L2HRS SDCCGMLS-0066605.P001 BCBcMAP01_000087 Spectrum4_001935 BSPBio_002808 TNP00238 D07MGA Flavanone, 3',5,7-trihydroxy-4'-methoxy-(VAN) HMS2095I10 KBio2_003229 (-)-hesperetin LS-185786 (S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone NCGC00016482-04 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-(9CI) Prestwick1_000124 Prestwick_908 AIONOLUJZLIMTK-AWEZNQCLSA-N SPBio_001745 BIDD:ER0512 SR-01000946723 CCG-38441 ZB001080 DTXSID4022319 HMS503O19 KBioGR_002311 (2S)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one (Hesperetin) MolPort-003-665-801 3',5,7-Trihydroxy-4'-methoxyflavanone NINDS_001039 5,7,3'-Trihydroxy-4'-methoxyflavanone 6JP SBB005936 AN-8453 SPECTRUM310012 BRD-K30553453-001-08-2 STL557824 CHEMBL399121 Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) Hesperitine KBio1_001039 (+/-)-Hesperetin KS-5307 (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one NCGC00016482-02 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- Oprea1_828704 Prestwick2_000124 AC1Q6KIN SMP1_000148 BCP28273 Spectrum5_000683 C01709 UNII-Q9Q3D557F1 DB01094 Flavanone, 3',5,7-trihydroxy-4'-methoxy-(VAN) (8CI) HMS2230M09 KBio2_005797 (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one MFCD00075646 (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one NCGC00142415-01 4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)- Q9Q3D557F1 AK327599 SPBio_002107 BPBio1_000186 SR-01000946723-1 CHEBI:28230 ZINC39092 EINECS 208-290-2 Hesperetin, disposable screening library format HY-N0168 KBioSS_000661 (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one N1856 4'-Methoxy-3',5,7-trihydroxyflavanone NSC 57654 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one AC-7970 SCHEMBL39833 BBL104011 Spectrum3_001104 BSPBio_000168 SW197026-2 Cyanidanon 4'-methyl ether 1626 Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) (8CI) HMS1568I10 KBio2_000661 (-)-(S)-hesperetin LMPK12140003 (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one NCGC00016482-03 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- (9CI) Prestwick0_000124 Prestwick3_000124 ACM41001905 SMR001233491 BDBM23418 Spectrum_000181 CAS-520-33-2 YSO2 DivK1c_001039 FT-0626940 HMS3649H22 KBio3_002028 (2s)-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-2,3-Dihydro-4h-1-Benzopyran-4-One MLS002154205 (S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one NCGC00142415-02 5,7, 3'-Trihydroxy-4'-methoxyflavanone 520-33-2 s2308 AKOS016339567 Spectrum2_001793 BRD-K30553453-001-05-8 ST055624 Flavanone, 3',5, 7-trihydroxy-4'-methoxy- (VAN) Hesperitin IDI1_001039 (+-)-Hesperetin KS-00000KM5 (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one NCGC00016482-01 41001-90-5 NSC-57654 [ Show all ]
Inchi Key	AIONOLUJZLIMTK-AWEZNQCLSA-N
Inchi ID	InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
PubChem CID	72281
ChEMBL	CHEMBL399121
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	79432.8 nM	PubChem BioAssay data set	ChEMBL

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