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Ligand

NameCHEMBL142502
Molecular formulaC38H59N11O6S
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
Molecular weight798.021
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP1.4
SynonymsN/A
Inchi KeyUDEVFJQLUTYZKN-DJVRUULOSA-N
Inchi IDInChI=1S/C38H59N11O6S/c1-21(2)13-26(18-43-30(34(40)51)11-12-56-6)47-37(54)31(15-25-17-41-20-45-25)48-32(50)19-44-38(55)33(22(3)4)49-35(52)23(5)46-36(53)28(39)14-24-16-42-29-10-8-7-9-27(24)29/h7-10,16-17,20-23,26,28,30-31,33,42-43H,11-15,18-19,39H2,1-6H3,(H2,40,51)(H,41,45)(H,44,55)(H,46,53)(H,47,54)(H,48,50)(H,49,52)/t23-,26-,28-,30-,31-,33-/m0/s1
PubChem CID44361989
ChEMBLCHEMBL142502
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
334012Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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