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Ligand

NameCHEMBL89416
Molecular formulaC39H58N8O10
IUPAC name(3S)-3-[[(2S)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight798.939
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP2.7
SynonymsAc-D-Phe-Leu-Asp-Ile-Ile-DL-His
BDBM50045226
Inchi KeyFCHVBJPUWRSWLL-AJPQGBEXSA-N
Inchi IDInChI=1S/C39H58N8O10/c1-8-22(5)32(37(54)45-30(39(56)57)17-26-19-40-20-41-26)47-38(55)33(23(6)9-2)46-36(53)29(18-31(49)50)44-34(51)27(15-21(3)4)43-35(52)28(42-24(7)48)16-25-13-11-10-12-14-25/h10-14,19-23,27-30,32-33H,8-9,15-18H2,1-7H3,(H,40,41)(H,42,48)(H,43,52)(H,44,51)(H,45,54)(H,46,53)(H,47,55)(H,49,50)(H,56,57)/t22-,23-,27-,28+,29-,30?,32-,33-/m0/s1
PubChem CID44321080
ChEMBLCHEMBL89416
IUPHARN/A
BindingDB50045226
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
74944Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
74943Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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