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Ligand

NameCHEMBL427954
Molecular formulaC55H88N22O15
IUPAC name(2S)-N-[(2S)-3-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1,3-diamino-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Molecular weight1297.45
Hydrogen bond acceptor20
Hydrogen bond donor22
XlogP-9.1
SynonymsN/A
Inchi KeyFDTFGXUGYFYZGF-UTNQKCLGSA-N
Inchi IDInChI=1S/C55H88N22O15/c1-28(69-41(81)26-68-53(92)43(30(3)79)77-50(89)36(21-32-14-8-5-9-15-32)71-42(82)25-66-40(80)24-67-47(86)33(58)20-31-12-6-4-7-13-31)45(84)72-35(17-11-19-65-55(62)63)49(88)75-38(23-57)51(90)76-39(27-78)52(91)70-29(2)46(85)73-34(16-10-18-64-54(60)61)48(87)74-37(22-56)44(59)83/h4-9,12-15,28-30,33-39,43,78-79H,10-11,16-27,56-58H2,1-3H3,(H2,59,83)(H,66,80)(H,67,86)(H,68,92)(H,69,81)(H,70,91)(H,71,82)(H,72,84)(H,73,85)(H,74,87)(H,75,88)(H,76,90)(H,77,89)(H4,60,61,64)(H4,62,63,65)/t28-,29-,30+,33-,34-,35-,36-,37-,38-,39-,43-/m0/s1
PubChem CID44414366
ChEMBLCHEMBL427954
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
75865Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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