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Ligand

NameCHEMBL1802438
Molecular formulaC40H53N11O8
IUPAC name(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[(2-aminoacetyl)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 weight815.933
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP-1.2
SynonymsBDBM50347835
Inchi KeyPQRQSEBAGUHPRH-QEUNAIBPSA-N
Inchi IDInChI=1S/C40H53N11O8/c41-22-33(53)46-23-34(54)47-30(20-26-13-6-2-7-14-26)37(57)51-32(24-52)39(59)50-31(21-27-15-8-3-9-16-27)38(58)48-28(17-10-18-45-40(43)44)36(56)49-29(35(42)55)19-25-11-4-1-5-12-25/h1-9,11-16,28-32,52H,10,17-24,41H2,(H2,42,55)(H,46,53)(H,47,54)(H,48,58)(H,49,56)(H,50,59)(H,51,57)(H4,43,44,45)/t28-,29-,30-,31-,32+/m0/s1
PubChem CID53363448
ChEMBLCHEMBL1802438
IUPHARN/A
BindingDB50347835
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
266419Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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