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Ligand

NameCHEMBL1802484
Molecular formulaC42H55N11O9
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight857.97
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP-0.9
SynonymsBDBM50347850
Inchi KeyJFOXWXSWULUXCX-LJADHVKFSA-N
Inchi IDInChI=1S/C42H55N11O9/c1-26(55)47-23-35(56)48-24-36(57)49-32(21-28-14-7-3-8-15-28)39(60)53-34(25-54)41(62)52-33(22-29-16-9-4-10-17-29)40(61)50-30(18-11-19-46-42(44)45)38(59)51-31(37(43)58)20-27-12-5-2-6-13-27/h2-10,12-17,30-34,54H,11,18-25H2,1H3,(H2,43,58)(H,47,55)(H,48,56)(H,49,57)(H,50,61)(H,51,59)(H,52,62)(H,53,60)(H4,44,45,46)/t30-,31-,32-,33-,34-/m0/s1
PubChem CID56662989
ChEMBLCHEMBL1802484
IUPHARN/A
BindingDB50347850
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
149819Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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