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Ligand

NameCHEMBL2170401
Molecular formulaC43H60N12O8
IUPAC name(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[2-[2,3-dihydroxypropyl-[[(2S)-3-phenyl-2-[(2-pyrazolidin-1-ylacetyl)amino]propanoyl]amino]amino]acetyl]amino]-3-phenylpropanoyl]amino]pentanamide
Molecular weight873.029
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP-0.1
SynonymsBDBM50396424
Inchi KeyODOWPMCPNXGTJN-BICVAKKNSA-N
Inchi IDInChI=1S/C43H60N12O8/c44-39(60)34(22-29-12-4-1-5-13-29)52-40(61)33(18-10-19-47-43(45)46)51-41(62)35(23-30-14-6-2-7-15-30)49-38(59)27-55(25-32(57)28-56)53-42(63)36(24-31-16-8-3-9-17-31)50-37(58)26-54-21-11-20-48-54/h1-9,12-17,32-36,48,56-57H,10-11,18-28H2,(H2,44,60)(H,49,59)(H,50,58)(H,51,62)(H,52,61)(H,53,63)(H4,45,46,47)/t32?,33-,34-,35-,36-/m0/s1
PubChem CID71453474
ChEMBLCHEMBL2170401
IUPHARN/A
BindingDB50396424
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
238624Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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