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Ligand

NameCHEMBL1802368
Molecular formulaC42H57N11O7
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight827.988
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP0.8
SynonymsBDBM50347840
Inchi KeyNSFNRPYGMJRCFL-XOSLRORVSA-N
Inchi IDInChI=1S/C42H57N11O7/c1-26(2)36(53-40(59)32(22-28-15-8-4-9-16-28)49-35(55)25-48-34(54)24-43)41(60)52-33(23-29-17-10-5-11-18-29)39(58)50-30(19-12-20-47-42(45)46)38(57)51-31(37(44)56)21-27-13-6-3-7-14-27/h3-11,13-18,26,30-33,36H,12,19-25,43H2,1-2H3,(H2,44,56)(H,48,54)(H,49,55)(H,50,58)(H,51,57)(H,52,60)(H,53,59)(H4,45,46,47)/t30-,31-,32-,33-,36-/m0/s1
PubChem CID56659502
ChEMBLCHEMBL1802368
IUPHARN/A
BindingDB50347840
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
230735Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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