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Ligand

NameCHEMBL1631929
Molecular formulaC61H98N22O16
IUPAC nameN-[2-[[2-[[2-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
Molecular weight1395.59
Hydrogen bond acceptor20
Hydrogen bond donor22
XlogP-7.0
SynonymsBzLGlyGGFTGARKSARK-NH2
BDBM50333101
Inchi KeyRGGITIKUOTYXBW-QYLHQMDWSA-N
Inchi IDInChI=1S/C61H98N22O16/c1-34(75-47(88)32-74-59(99)49(36(3)85)83-57(97)43(28-37-16-6-4-7-17-37)77-48(89)31-72-45(86)29-71-46(87)30-73-53(93)38-18-8-5-9-19-38)51(91)79-42(23-15-27-70-61(67)68)55(95)81-40(21-11-13-25-63)56(96)82-44(33-84)58(98)76-35(2)52(92)80-41(22-14-26-69-60(65)66)54(94)78-39(50(64)90)20-10-12-24-62/h4-9,16-19,34-36,39-44,49,84-85H,10-15,20-33,62-63H2,1-3H3,(H2,64,90)(H,71,87)(H,72,86)(H,73,93)(H,74,99)(H,75,88)(H,76,98)(H,77,89)(H,78,94)(H,79,91)(H,80,92)(H,81,95)(H,82,96)(H,83,97)(H4,65,66,69)(H4,67,68,70)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,49-/m0/s1
PubChem CID53323365
ChEMBLCHEMBL1631929
IUPHARN/A
BindingDB50333101
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
295340Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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