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Ligand

NameCHEMBL265989
Molecular formulaC50H68N14O8
IUPAC name(2S)-N-[2-[[(2S)-1-[[(2S)-1-acetamido-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
Molecular weight993.184
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP2.0
SynonymsN/A
Inchi KeyIAAWTVVHUGREDI-QHCPRNAHSA-N
Inchi IDInChI=1S/C50H68N14O8/c1-28(2)16-36(24-54-31(6)65)60-48(70)41(19-34-22-52-26-57-34)61-43(66)25-56-50(72)44(29(3)4)64-45(67)30(5)59-47(69)40(18-33-21-55-39-15-11-10-14-37(33)39)63-49(71)42(20-35-23-53-27-58-35)62-46(68)38(51)17-32-12-8-7-9-13-32/h7-15,21-23,26-30,36,38,40-42,44,55H,16-20,24-25,51H2,1-6H3,(H,52,57)(H,53,58)(H,54,65)(H,56,72)(H,59,69)(H,60,70)(H,61,66)(H,62,68)(H,63,71)(H,64,67)/t30-,36-,38+,40-,41-,42-,44-/m0/s1
PubChem CID44361730
ChEMBLCHEMBL265989
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
128232Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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