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Ligand

NameCHEMBL1793925
Molecular formulaC51H68N8O9
IUPAC name(3S)-4-[[(3S)-3-[[(2S)-2-acetamido-3,3-diphenylpropanoyl]amino]-5-methyl-2-oxohexyl]amino]-3-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight937.152
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP3.1
SynonymsBDBM50369266
Inchi KeyFZNPXBBDYXQYLN-KFYDKIFBSA-N
Inchi IDInChI=1S/C51H68N8O9/c1-8-30(5)44(59-50(67)45(31(6)9-2)58-47(64)37(52)25-35-27-53-38-23-17-16-22-36(35)38)49(66)57-40(26-42(62)63)48(65)54-28-41(61)39(24-29(3)4)56-51(68)46(55-32(7)60)43(33-18-12-10-13-19-33)34-20-14-11-15-21-34/h10-23,27,29-31,37,39-40,43-46,53H,8-9,24-26,28,52H2,1-7H3,(H,54,65)(H,55,60)(H,56,68)(H,57,66)(H,58,64)(H,59,67)(H,62,63)/t30-,31-,37-,39-,40-,44-,45-,46-/m0/s1
PubChem CID56657875
ChEMBLCHEMBL1793925
IUPHARN/A
BindingDB50369266
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
91083Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
91084Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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