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Ligand

NameCHEMBL1793926
Molecular formulaC51H67N7O10
IUPAC name(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3,3-diphenylpropanoyl]-methylamino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight938.136
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogP6.3
SynonymsBDBM50369273
Inchi KeyGKTACTKOCSBPJR-KUIIPSLPSA-N
Inchi IDInChI=1S/C51H67N7O10/c1-9-30(5)43(48(64)55-39(51(67)68)26-35-28-52-37-24-18-17-23-36(35)37)57-49(65)44(31(6)10-2)56-46(62)38(27-41(60)61)54-47(63)40(25-29(3)4)58(8)50(66)45(53-32(7)59)42(33-19-13-11-14-20-33)34-21-15-12-16-22-34/h11-24,28-31,38-40,42-45,52H,9-10,25-27H2,1-8H3,(H,53,59)(H,54,63)(H,55,64)(H,56,62)(H,57,65)(H,60,61)(H,67,68)/t30-,31-,38-,39-,40-,43-,44-,45-/m0/s1
PubChem CID56668268
ChEMBLCHEMBL1793926
IUPHARN/A
BindingDB50369273
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
98948Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
98947Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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