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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 | MLS000438552 |
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Molecular formula | C21H21F3N2O2 |
IUPAC name | (4R,5S,6R)-5-acetyl-1-benzyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one |
Molecular weight | 390.406 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | (4R,5S,6R)-5-ethanoyl-6-methyl-1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one SMR000452907 CMLD004126 (4R,5S,6R)-5-acetyl-1-benzyl-6-methyl-4-[3-(trifluoromethyl)phenyl]hexahydropyrimidin-2-one NCGC00162489-01 [ Show all ] |
Inchi Key | AHCWZEKNBFRKFE-VMDGZTHMSA-N |
Inchi ID | InChI=1S/C21H21F3N2O2/c1-13-18(14(2)27)19(16-9-6-10-17(11-16)21(22,23)24)25-20(28)26(13)12-15-7-4-3-5-8-15/h3-11,13,18-19H,12H2,1-2H3,(H,25,28)/t13-,18+,19+/m1/s1 |
PubChem CID | 16745554 |
ChEMBL | CHEMBL1369646 |
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 |
---|---|---|---|
Potency | 35481.3 nM | PubChem BioAssay data set | ChEMBL |
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