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Ligand

NameCHEMBL2170395
Molecular formulaC40H54N12O8
IUPAC name(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[2-(2-amino-2-oxoethyl)-2-benzylhydrazinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-phenylpropanamide
Molecular weight830.948
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-1.4
SynonymsBDBM50396417
Inchi KeyKKWTXMDIBLYFBC-YDPTYEFTSA-N
Inchi IDInChI=1S/C40H54N12O8/c41-21-34(55)46-22-35(56)47-30(19-26-11-4-1-5-12-26)36(57)50-32(25-53)38(59)49-31(20-27-13-6-2-7-14-27)37(58)48-29(17-10-18-45-40(43)44)39(60)51-52(24-33(42)54)23-28-15-8-3-9-16-28/h1-9,11-16,29-32,53H,10,17-25,41H2,(H2,42,54)(H,46,55)(H,47,56)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H4,43,44,45)/t29-,30-,31-,32-/m0/s1
PubChem CID71456974
ChEMBLCHEMBL2170395
IUPHARN/A
BindingDB50396417
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
171592Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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