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Ligand

NameCHEMBL1802379
Molecular formulaC43H60N12O7
IUPAC name(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[bis(dimethylamino)methylideneamino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Molecular weight857.03
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP0.2
SynonymsBDBM50347856
Inchi KeyLYQBEHIYIHUDGI-ZZTWKDBPSA-N
Inchi IDInChI=1S/C43H60N12O7/c1-54(2)43(55(3)4)48-26-36(57)49-33(24-29-17-10-6-11-18-29)39(60)53-35(27-56)41(62)52-34(25-30-19-12-7-13-20-30)40(61)50-31(21-14-22-47-42(45)46)38(59)51-32(37(44)58)23-28-15-8-5-9-16-28/h5-13,15-20,31-35,56H,14,21-27H2,1-4H3,(H2,44,58)(H,49,57)(H,50,61)(H,51,59)(H,52,62)(H,53,60)(H4,45,46,47)/t31-,32-,33-,34-,35-/m0/s1
PubChem CID56676672
ChEMBLCHEMBL1802379
IUPHARN/A
BindingDB50347856
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
199607Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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