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Ligand

NameD0C9QV
Molecular formulaC80H131N27O22
IUPAC name(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-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]-methylamino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
Molecular weight1823.09
Hydrogen bond acceptor27
Hydrogen bond donor27
XlogP-10.8
SynonymsN/A
Inchi KeyAZDMRQCLZWWKEK-FKPOJLNCSA-N
Inchi IDInChI=1S/C80H131N27O22/c1-42(2)34-55(73(123)95-44(4)66(116)103-57(37-60(85)111)74(124)102-54(78(128)129)28-29-59(84)110)104-71(121)50(24-14-16-30-81)100-69(119)52(26-18-32-90-79(86)87)98-65(115)43(3)96-76(126)58(41-108)105-72(122)51(25-15-17-31-82)101-70(120)53(27-19-33-91-80(88)89)99-67(117)45(5)107(7)63(114)40-94-77(127)64(46(6)109)106-75(125)56(36-48-22-12-9-13-23-48)97-62(113)39-92-61(112)38-93-68(118)49(83)35-47-20-10-8-11-21-47/h8-13,20-23,42-46,49-58,64,108-109H,14-19,24-41,81-83H2,1-7H3,(H2,84,110)(H2,85,111)(H,92,112)(H,93,118)(H,94,127)(H,95,123)(H,96,126)(H,97,113)(H,98,115)(H,99,117)(H,100,119)(H,101,120)(H,102,124)(H,103,116)(H,104,121)(H,105,122)(H,106,125)(H,128,129)(H4,86,87,90)(H4,88,89,91)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
PubChem CID44366123
ChEMBLCHEMBL427617
IUPHARN/A
BindingDB50121255
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
18048Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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