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Ligand

NameCHEMBL2181029
Molecular formulaC62H92N18O13
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-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]butanediamide
Molecular weight1297.53
Hydrogen bond acceptor16
Hydrogen bond donor16
XlogP-1.1
SynonymsN/A
Inchi KeyLSLQMTGIGYYJSU-YOGMKKMZSA-N
Inchi IDInChI=1S/C62H92N18O13/c1-34(2)25-43(56(88)72-41(20-13-23-69-62(65)66)54(86)73-42(51(64)83)27-37-15-8-6-9-16-37)77-60(92)49-21-14-24-80(49)61(93)47(26-35(3)4)78-58(90)46(30-50(63)82)74-52(84)36(5)71-55(87)44(28-38-17-10-7-11-18-38)75-59(91)48(32-81)79-57(89)45(29-39-31-67-33-70-39)76-53(85)40-19-12-22-68-40/h6-11,15-18,31,33-36,40-49,68,81H,12-14,19-30,32H2,1-5H3,(H2,63,82)(H2,64,83)(H,67,70)(H,71,87)(H,72,88)(H,73,86)(H,74,84)(H,75,91)(H,76,85)(H,77,92)(H,78,90)(H,79,89)(H4,65,66,69)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
PubChem CID71453882
ChEMBLCHEMBL2181029
IUPHARN/A
BindingDBN/A
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
195306Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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