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Name | Parathyroid hormone/parathyroid hormone-related peptide receptor |
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Species | Homo sapiens (Human) |
Gene | PTH1R |
Synonym | PTH1 receptor PTHR PTH/PTHrP type I receptor PTH/PTHr receptor PPR [ 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 |
Name | MLS001141336 |
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Molecular formula | C24H26ClN3O4 |
IUPAC name | 6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(3-chloro-4-methoxyphenyl)hexanamide |
Molecular weight | 455.939 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | MCULE-1435128825 1013752-21-0 N-(3-chloro-4-methoxyphenyl)-6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanamide CHEMBL1299752 ZINC13591581 [ Show all ] |
Inchi Key | AAVKSUJJSADYEN-FQEVSTJZSA-N |
Inchi ID | InChI=1S/C24H26ClN3O4/c1-32-21-11-10-18(14-19(21)25)26-22(29)9-3-2-6-12-27-23(30)20-13-16-7-4-5-8-17(16)15-28(20)24(27)31/h4-5,7-8,10-11,14,20H,2-3,6,9,12-13,15H2,1H3,(H,26,29)/t20-/m0/s1 |
PubChem CID | 17580921 |
ChEMBL | CHEMBL1299752 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
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Potency | 15848.9 nM | PubChem BioAssay data set | ChEMBL |
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