You can:
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 [ 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 | MLS003551996 |
---|---|
Molecular formula | C31H46N2O5 |
IUPAC name | methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1-octyl-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate |
Molecular weight | 526.718 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 6.0 |
Synonyms | (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1-octyl-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-1-octyl-2-oxidanylidene-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate SMR002202741 CHEMBL2145204 (3S,4aS)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-1-octyl-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester [ Show all ] |
Inchi Key | BSDKQUAJTWZZCI-NJHZRGNWSA-N |
Inchi ID | InChI=1S/C31H46N2O5/c1-4-5-6-7-8-14-21-33-27-17-10-9-13-19-31(27,30(36)38-3)23-25(29(33)35)22-28(34)32-20-18-24-15-11-12-16-26(24)37-2/h11-12,15-17,25H,4-10,13-14,18-23H2,1-3H3,(H,32,34)/t25-,31+/m1/s1 |
PubChem CID | 53300195 |
ChEMBL | CHEMBL2145204 |
IUPHAR | N/A |
BindingDB | 96847 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Potency | 50118.7 nM | PubChem BioAssay data set | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218