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Ligand

NameCHEMBL414767
Molecular formulaC79H132N28O20
IUPAC name(2S)-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-phenylpropyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]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]pentanediamide
Molecular weight1794.1
Hydrogen bond acceptor26
Hydrogen bond donor28
XlogP-9.1
SynonymsN/A
Inchi KeyXJPYUNRZUKADMX-FKPOJLNCSA-N
Inchi IDInChI=1S/C79H132N28O20/c1-42(2)33-55(73(123)96-45(5)68(118)104-57(36-60(84)111)74(124)99-50(65(85)115)27-28-59(83)110)105-71(121)51(23-13-15-29-80)102-70(120)54(26-18-32-92-79(88)89)101-67(117)44(4)97-76(126)58(41-108)106-72(122)52(24-14-16-30-81)103-69(119)53(25-17-31-91-78(86)87)100-66(116)43(3)95-62(113)40-94-77(127)64(46(6)109)107-75(125)56(35-48-21-11-8-12-22-48)98-63(114)39-93-61(112)38-90-37-49(82)34-47-19-9-7-10-20-47/h7-12,19-22,42-46,49-58,64,90,108-109H,13-18,23-41,80-82H2,1-6H3,(H2,83,110)(H2,84,111)(H2,85,115)(H,93,112)(H,94,127)(H,95,113)(H,96,123)(H,97,126)(H,98,114)(H,99,124)(H,100,116)(H,101,117)(H,102,120)(H,103,119)(H,104,118)(H,105,121)(H,106,122)(H,107,125)(H4,86,87,91)(H4,88,89,92)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
PubChem CID44327446
ChEMBLCHEMBL414767
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
393560Nociceptin receptorP41146OPRL1Homo sapiens (Human)370
393561Nociceptin receptorP47748OPRL1Cavia porcellus (Guinea pig)370
393562Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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