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Ligand

NameCHEMBL1793929
Molecular formulaC51H68N8O9
IUPAC name(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3,3-diphenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(3R,4R)-1-[[(2R,3R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methyl-2-oxohexan-3-yl]amino]-4-oxobutanoic acid
Molecular weight937.152
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP3.1
SynonymsBDBM50369264
Inchi KeyCGCBRXFRVJPFHT-MDVOOFEXSA-N
Inchi IDInChI=1S/C51H68N8O9/c1-8-30(5)44(41(61)28-54-50(67)45(31(6)9-2)59-47(64)37(52)25-35-27-53-38-23-17-16-22-36(35)38)58-49(66)40(26-42(62)63)56-48(65)39(24-29(3)4)57-51(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,54,67)(H,55,60)(H,56,65)(H,57,68)(H,58,66)(H,59,64)(H,62,63)/t30-,31-,37-,39+,40+,44-,45-,46+/m1/s1
PubChem CID56681798
ChEMBLCHEMBL1793929
IUPHARN/A
BindingDB50369264
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
41183Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
41184Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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