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Ligand

NameCHEMBL2181302
Molecular formulaC48H73N13O9
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-amino-3-phenylpropanoyl]amino]propanoyl]amino]butanediamide
Molecular weight976.194
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP0.3
SynonymsN/A
Inchi KeyLHVNYTHQATYMMA-YBHWYGJSSA-N
Inchi IDInChI=1S/C48H73N13O9/c1-27(2)22-35(44(67)56-33(18-12-20-54-48(52)53)43(66)57-34(40(51)63)25-31-16-10-7-11-17-31)59-46(69)38-19-13-21-61(38)47(70)37(23-28(3)4)60-45(68)36(26-39(50)62)58-41(64)29(5)55-42(65)32(49)24-30-14-8-6-9-15-30/h6-11,14-17,27-29,32-38H,12-13,18-26,49H2,1-5H3,(H2,50,62)(H2,51,63)(H,55,65)(H,56,67)(H,57,66)(H,58,64)(H,59,69)(H,60,68)(H4,52,53,54)/t29-,32-,33-,34-,35-,36-,37-,38-/m0/s1
PubChem CID71462792
ChEMBLCHEMBL2181302
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
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GLASS IDNameUniProtGeneSpeciesLength
187883Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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