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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 | CHEMBL1379097 |
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Molecular formula | C22H20N4O3S2 |
IUPAC name | 2-(3,4-dimethylphenoxy)-N-[5-[(4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide |
Molecular weight | 452.547 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 4.3 |
Synonyms | G751-2589 MolPort-007-878-427 HMS1896G15 2-(3,4-dimethylphenoxy)-N-(5-{[(4-oxo-1,4-dihydroquinolin-2-yl)methyl]thio}-1,3,4-thiadiazol-2-yl)acetamide NCGC00133856-01 [ Show all ] |
Inchi Key | AFMYYVBJPHRSBZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H20N4O3S2/c1-13-7-8-16(9-14(13)2)29-11-20(28)24-21-25-26-22(31-21)30-12-15-10-19(27)17-5-3-4-6-18(17)23-15/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,25,28) |
PubChem CID | 16030490 |
ChEMBL | CHEMBL1379097 |
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 | 50118.7 nM | PubChem BioAssay data set | ChEMBL |
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