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Ligand

NameCHEMBL264600
Molecular formulaC49H69N13O9
IUPAC name(2S)-N-[(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-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]pentanediamide
Molecular weight984.173
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP1.1
SynonymsN/A
Inchi KeySPHWNQPVUDTMDV-IWSXVHCPSA-N
Inchi IDInChI=1S/C49H69N13O9/c1-27(2)18-34(24-53-30(6)63)58-48(70)40(21-33-23-52-26-56-33)59-42(65)25-55-49(71)43(28(3)4)62-44(66)29(5)57-47(69)39(20-32-22-54-37-15-11-10-14-35(32)37)61-46(68)38(16-17-41(51)64)60-45(67)36(50)19-31-12-8-7-9-13-31/h7-15,22-23,26-29,34,36,38-40,43,54H,16-21,24-25,50H2,1-6H3,(H2,51,64)(H,52,56)(H,53,63)(H,55,71)(H,57,69)(H,58,70)(H,59,65)(H,60,67)(H,61,68)(H,62,66)/t29-,34-,36+,38-,39-,40-,43-/m0/s1
PubChem CID44361837
ChEMBLCHEMBL264600
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
319950Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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