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Ligand

NameCHEMBL2181303
Molecular formulaC39H64N12O8
IUPAC name(2S)-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]butanediamide
Molecular weight829.017
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-1.1
SynonymsN/A
Inchi KeyKLGDCORYGPGHJC-RQKKIUEJSA-N
Inchi IDInChI=1S/C39H64N12O8/c1-21(2)17-27(35(56)46-25(13-9-15-45-39(43)44)34(55)47-26(32(42)53)19-24-11-7-6-8-12-24)49-37(58)30-14-10-16-51(30)38(59)29(18-22(3)4)50-36(57)28(20-31(41)52)48-33(54)23(5)40/h6-8,11-12,21-23,25-30H,9-10,13-20,40H2,1-5H3,(H2,41,52)(H2,42,53)(H,46,56)(H,47,55)(H,48,54)(H,49,58)(H,50,57)(H4,43,44,45)/t23-,25-,26-,27-,28-,29-,30-/m0/s1
PubChem CID71462793
ChEMBLCHEMBL2181303
IUPHARN/A
BindingDBN/A
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
171952Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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