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Ligand

NameCHEMBL1802433
Molecular formulaC34H49N11O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight739.835
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP-2.8
SynonymsBDBM50347833
Inchi KeyHYVFXOIFBMUDNU-REVLRCOSSA-N
Inchi IDInChI=1S/C34H49N11O8/c1-20(41-28(48)18-40-27(47)17-35)30(50)45-26(19-46)33(53)44-25(16-22-11-6-3-7-12-22)32(52)42-23(13-8-14-39-34(37)38)31(51)43-24(29(36)49)15-21-9-4-2-5-10-21/h2-7,9-12,20,23-26,46H,8,13-19,35H2,1H3,(H2,36,49)(H,40,47)(H,41,48)(H,42,52)(H,43,51)(H,44,53)(H,45,50)(H4,37,38,39)/t20-,23-,24-,25-,26-/m0/s1
PubChem CID56662959
ChEMBLCHEMBL1802433
IUPHARN/A
BindingDB50347833
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
127368Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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