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Ligand

NameCHEMBL142356
Molecular formulaC47H68N12O7S
IUPAC name(2S)-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]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
Molecular weight945.198
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP2.7
SynonymsN/A
Inchi KeyJCCMHMZONDMNLW-UKDVBBEUSA-N
Inchi IDInChI=1S/C47H68N12O7S/c1-27(2)18-33(24-52-37(42(49)61)16-17-67-6)56-46(65)39(21-32-23-50-26-54-32)57-40(60)25-53-47(66)41(28(3)4)59-43(62)29(5)55-45(64)38(20-31-22-51-36-15-11-10-14-34(31)36)58-44(63)35(48)19-30-12-8-7-9-13-30/h7-15,22-23,26-29,33,35,37-39,41,51-52H,16-21,24-25,48H2,1-6H3,(H2,49,61)(H,50,54)(H,53,66)(H,55,64)(H,56,65)(H,57,60)(H,58,63)(H,59,62)/t29-,33-,35+,37-,38-,39-,41-/m0/s1
PubChem CID44361740
ChEMBLCHEMBL142356
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
147278Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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