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Ligand

NameCHEMBL2181301
Molecular formulaC51H78N14O11
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-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]butanediamide
Molecular weight1063.27
Hydrogen bond acceptor13
Hydrogen bond donor13
XlogP-1.0
SynonymsN/A
Inchi KeyXSQPTZBZDXKPKC-KYHHBYFOSA-N
Inchi IDInChI=1S/C51H78N14O11/c1-28(2)22-36(47(73)59-34(18-12-20-57-51(55)56)45(71)60-35(42(54)68)24-31-14-8-6-9-15-31)63-49(75)40-19-13-21-65(40)50(76)39(23-29(3)4)64-48(74)38(26-41(53)67)61-43(69)30(5)58-46(72)37(62-44(70)33(52)27-66)25-32-16-10-7-11-17-32/h6-11,14-17,28-30,33-40,66H,12-13,18-27,52H2,1-5H3,(H2,53,67)(H2,54,68)(H,58,72)(H,59,73)(H,60,71)(H,61,69)(H,62,70)(H,63,75)(H,64,74)(H4,55,56,57)/t30-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
PubChem CID71461062
ChEMBLCHEMBL2181301
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
399935Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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