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Ligand

NameCHEMBL386146
Molecular formulaC49H69N15O11
IUPAC name(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-acetamido-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1-formylindol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pentanediamide
Molecular weight1044.19
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP-0.7
SynonymsN/A
Inchi KeyYRRXDYXYNWBQQW-UZGBMOBRSA-N
Inchi IDInChI=1S/C49H69N15O11/c1-26(2)14-34(20-53-29(6)66)59-47(73)38(16-32-18-51-23-55-32)60-42(69)21-54-49(75)43(27(3)4)63-44(70)28(5)57-46(72)37(15-31-22-64(25-65)40-11-9-8-10-35(31)40)61-48(74)39(17-33-19-52-24-56-33)62-45(71)36(58-30(7)67)12-13-41(50)68/h8-11,18-19,22-28,34,36-39,43H,12-17,20-21H2,1-7H3,(H2,50,68)(H,51,55)(H,52,56)(H,53,66)(H,54,75)(H,57,72)(H,58,67)(H,59,73)(H,60,69)(H,61,74)(H,62,71)(H,63,70)/t28-,34-,36-,37-,38-,39-,43-/m0/s1
PubChem CID44361991
ChEMBLCHEMBL386146
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
417652Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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