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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 | CHEMBL514849 |
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Molecular formula | C76H124N24O18S |
IUPAC name | (4S)-5-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid |
Molecular weight | 1694.04 |
Hydrogen bond acceptor | 23 |
Hydrogen bond donor | 23 |
XlogP | -5.1 |
Synonyms | Ala-Val-Ala-Glu-lle-Gln-Leu-Met-His-Gln-Har-Ala-Lys-Trp BDBM50269971 |
Inchi Key | HLVAFEUAAXYYIR-WIPJMHCCSA-N |
Inchi ID | InChI=1S/C76H124N24O18S/c1-11-40(6)61(100-71(114)52(24-27-59(103)104)91-65(108)43(9)89-74(117)60(39(4)5)99-63(106)41(7)78)75(118)95-51(23-26-58(80)102)69(112)97-55(32-38(2)3)72(115)94-53(28-31-119-10)70(113)98-56(34-45-36-84-37-87-45)73(116)93-50(22-25-57(79)101)68(111)92-48(21-15-17-30-85-76(82)83)66(109)88-42(8)64(107)90-49(20-14-16-29-77)67(110)96-54(62(81)105)33-44-35-86-47-19-13-12-18-46(44)47/h12-13,18-19,35-43,48-56,60-61,86H,11,14-17,20-34,77-78H2,1-10H3,(H2,79,101)(H2,80,102)(H2,81,105)(H,84,87)(H,88,109)(H,89,117)(H,90,107)(H,91,108)(H,92,111)(H,93,116)(H,94,115)(H,95,118)(H,96,110)(H,97,112)(H,98,113)(H,99,106)(H,100,114)(H,103,104)(H4,82,83,85)/t40-,41-,42-,43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1 |
PubChem CID | 44584917 |
ChEMBL | CHEMBL514849 |
IUPHAR | N/A |
BindingDB | 50269971 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 32.0 nM | PMID17428923 | BindingDB,ChEMBL |
EC50 | 800.0 nM | PMID17428923 | BindingDB,ChEMBL |
IC50 | 10484.0 nM | PMID17428923 | BindingDB,ChEMBL |
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