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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	cinnamaldehyde
Molecular formula	C9H8O
IUPAC name	(E)-3-phenylprop-2-enal
Molecular weight	132.162
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	1.9
Synonyms	AKOS000119171 NCGC00091512-01 BDBM50203065 NCI-C56111 C9H8O RL00215 CHEMBL293492 (2E)-3-phenylacrylaldehyde Cinnamaldehyde, Natural (E)-3-phenylprop-2-enal Cinnamyl aldehyde 14371-10-9 DB-003796 3-Fenylpropenal [Czech] EPA Pesticide Chemical Code 040506 3-Phenylpropenal I14-109742 AC1Q6PPL M181 SMR000112334 Tox21_303271 TRANS-CINNAMALDEHYDE (SEE ALSO CINNAMALDEHYDE (104-55-2)) trans-Cinnamylaldehyde MolPort-000-871-213 AM20060482 NCGC00091512-05 beta-Phenylcrolein NSC-40346 Caswell No. 221A CINNAMALDEHYDE (SEE ALSO TRANS-CINNAMALDEHYDE (14371-10-9)) (E)-3-Phenyl-2-propenal Cinnamaldehyde, United States Pharmacopeia (USP) Reference Standard (E)-Cinnamic aldehyde cis-Cinnamic aldehyde 2-propenal, 3-phenyl-, (2E)- DSSTox_RID_77548 3-Phenyl-2-propenal FEMA Number 2286 58840-EP2308879A1 KB-76097 AI3-00473 ST2407775 trans cinnamic aldehyde trans-Cinnamaldehyde, >=98%, FCC, FG W-205597 AK-77787 Nat. Cinnamaldehyde B99DD6C7-1C6D-4FE3-A172-54BFDB987683 NCGC00257017-01 BRN 1071571 Phenylacrolein CHEBI:16731 Cinnamaldehyde [NF] (E)-3-Phenyl-propenal Cinnamic aldehyde (natural) (Z)-Cinnamylaldehyde CS-0009609 2-propenal,3-phenyl-,(E)- EC 203-213-9 3-Phenylacrylaldehyde HMS2268O08 AC1LCUDE LS-378 SC-19143 Tox21_111144 trans-3-Phenylacrylaldehyde trans-Cinnamaldehyde; trans-3-Phenylacrylaldehyde ZINC1532777 Aldehyd skoricovy NCGC00091512-02 Benzylideneacetaldehyde NSC 16935 CAS-14371-10-9 RT-001454 Cinnamal (2E)-3-phenylprop-2-enal Cinnamaldehyde, natural, >=95%, FG (E)-3-Phenylpropenal Cinnamylaldehyde 2-07-00-00273 (Beilstein Handbook Reference) DSSTox_CID_4834 3-Phenyl-(Z)-2-Propenal Epitope ID:150921 4-07-00-00984 (Beilstein Handbook Reference) I14-7336 ACN-035400 MFCD00007000 SR60A3XG0F TR-001003 Trans-Cinnamaldehyde ,(S) transcinnamaldehyde MolPort-004-288-292 AN-24684 NCGC00091512-06 bmse010257 NSC16935 CCRIS 3189 CINNAMALDEHYDE (TRANS) (E)-3-phenyl-2-propenal(E)-cinnamaldehyde Cinnamaldehyde, Vetec(TM) reagent grade, 93% (E)-phenylvinyl aldehyde CJ-24256 2-Propenal, 3-phenyl-, (E)- DTXSID6024834 3-Phenyl-2-propenaldehyde GTPL2423 A801001 KB-81236 AI3-33275 RTR-001003 ST50213393 trans-3-Phenyl-2-propenal trans-Cinnamaldehyde, >=99% WLN: VH1U1R AK158901 NATURAL CINNAMIC ALDEHYDE BBL010378 NCGC00259353-01 C00903 R501736 (2E)-3-Phenyl-2-propenal Cinnamaldehyde, (E)- (E)-3-phenylacrylaldehyde cinnamic aldehyde, (E)-isomer 104-55-2 D0PJ3M 3-Fenylpropenal EINECS 203-213-9 3-phenylprop-2-enal HSDB 209 AC1Q6BJW LS-850 SCHEMBL3441 Tox21_201804 trans-Cinnamaldehyde trans-Cinnamic aldehyde MLS002454394 Aldehyd skoricovy [Czech] NCGC00091512-04 beta-phenylacrolein NSC-16935 Cassia aldehyde (3E)-3-phenylprop-2-enal Cinnamaldehyde, trans- (E)-Cinnamaldehyde Cinnemaldehyde 2-Propenal, 3-phenyl- DSSTox_GSID_24834 3-Phenyl-2-propen-1-al FEMA No. 2286 58840-EP2305682A1 InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4 Acrolein, 3-phenyl- ST24024694 trans cinnamaldehyde trans-Cinnamaldehyde, 99% UNII-SR60A3XG0F N1482 AS-12078 NCGC00091512-07 BRN 0605737 NSC40346 CCRIS 6222 Cinnamaldehyde (trans), neat (E)-3-phenyl-acrylaldehyde Cinnamic aldehyde (trans)-cinnamaldehyde CNMA 2-Propenal, 3-phenyl-, (E)- (9CI) e-cinnamaldehyde 3-Phenylacrolein Hefty Dog and Cat Repellent Abion CA KJPRLNWUNMBNBZ-QPJJXVBHSA-N AJ-26812 SBB028652 STK397371 trans-3-Phenylacrolein trans-Cinnamaldehyde, analytical standard Zimtaldehyde [ Show all ]
Inchi Key	KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Inchi ID	InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
PubChem CID	637511
ChEMBL	CHEMBL293492
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	112202.0 nM	PubChem BioAssay data set	ChEMBL

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