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Ligand

NameCHEMBL2181030
Molecular formulaC57H85N17O12
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]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 weight1200.41
Hydrogen bond acceptor15
Hydrogen bond donor15
XlogP-1.5
SynonymsN/A
Inchi KeyNNXNFRZCKVEHOX-LNPXCINHSA-N
Inchi IDInChI=1S/C57H85N17O12/c1-31(2)22-40(52(82)67-38(18-12-20-64-57(61)62)50(80)68-39(47(60)77)24-34-14-8-6-9-15-34)71-55(85)45-19-13-21-74(45)56(86)43(23-32(3)4)72-53(83)42(27-46(59)76)69-48(78)33(5)66-51(81)41(25-35-16-10-7-11-17-35)70-54(84)44(29-75)73-49(79)37(58)26-36-28-63-30-65-36/h6-11,14-17,28,30-33,37-45,75H,12-13,18-27,29,58H2,1-5H3,(H2,59,76)(H2,60,77)(H,63,65)(H,66,81)(H,67,82)(H,68,80)(H,69,78)(H,70,84)(H,71,85)(H,72,83)(H,73,79)(H4,61,62,64)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
PubChem CID71461039
ChEMBLCHEMBL2181030
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
228047Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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