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Ligand

NameCHEMBL1802432
Molecular formulaC41H55N11O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight829.96
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP-0.8
SynonymsBDBM50347832
Inchi KeyPEPMUIPPGLUDBS-YXKTVTGNSA-N
Inchi IDInChI=1S/C41H55N11O8/c1-25(47-34(54)23-42)36(56)50-31(21-27-14-7-3-8-15-27)39(59)52-33(24-53)40(60)51-32(22-28-16-9-4-10-17-28)38(58)48-29(18-11-19-46-41(44)45)37(57)49-30(35(43)55)20-26-12-5-2-6-13-26/h2-10,12-17,25,29-33,53H,11,18-24,42H2,1H3,(H2,43,55)(H,47,54)(H,48,58)(H,49,57)(H,50,56)(H,51,60)(H,52,59)(H4,44,45,46)/t25-,29-,30-,31-,32-,33-/m0/s1
PubChem CID56666435
ChEMBLCHEMBL1802432
IUPHARN/A
BindingDB50347832
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
257849Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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