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Ligand

NameCHEMBL233069
Molecular formulaC80H132N28O21
IUPAC name(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-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-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-2-methylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]pentanediamide
Molecular weight1822.11
Hydrogen bond acceptor26
Hydrogen bond donor30
XlogP-8.4
SynonymsN/A
Inchi KeyQCUMOZWWSNJIHH-GILZCFBMSA-N
Inchi IDInChI=1S/C80H132N28O21/c1-42(2)34-54(72(124)97-44(4)66(118)103-56(37-59(85)112)73(125)99-49(64(86)116)28-29-58(84)111)104-69(121)50(24-14-16-30-81)102-71(123)53(27-19-33-92-79(89)90)106-77(129)80(6,7)108-75(127)57(41-109)105-70(122)51(25-15-17-31-82)101-68(120)52(26-18-32-91-78(87)88)100-65(117)43(3)96-61(114)40-95-76(128)63(45(5)110)107-74(126)55(36-47-22-12-9-13-23-47)98-62(115)39-93-60(113)38-94-67(119)48(83)35-46-20-10-8-11-21-46/h8-13,20-23,42-45,48-57,63,109-110H,14-19,24-41,81-83H2,1-7H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,119)(H,95,128)(H,96,114)(H,97,124)(H,98,115)(H,99,125)(H,100,117)(H,101,120)(H,102,123)(H,103,118)(H,104,121)(H,105,122)(H,106,129)(H,107,126)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
PubChem CID44430584
ChEMBLCHEMBL233069
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
275181Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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