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Ligand

NameD0L3JC
Molecular formulaC79H130N30O22
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]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
Molecular weight1852.1
Hydrogen bond acceptor28
Hydrogen bond donor33
XlogP-12.4
SynonymsN/A
Inchi KeyYTLZMPJDUFYROB-YRFUXTPFSA-N
Inchi IDInChI=1S/C79H130N30O22/c1-41(97-60(115)39-96-75(129)62(44(4)111)109-73(127)54(35-46-20-9-6-10-21-46)100-61(116)38-94-59(114)37-95-66(120)47(82)34-45-18-7-5-8-19-45)63(117)101-51(25-16-32-92-78(87)88)69(123)104-49(23-12-14-30-81)71(125)108-56(40-110)74(128)99-42(2)64(118)102-52(26-17-33-93-79(89)90)70(124)103-48(22-11-13-29-80)68(122)105-50(24-15-31-91-77(85)86)67(121)98-43(3)65(119)107-55(36-58(84)113)72(126)106-53(76(130)131)27-28-57(83)112/h5-10,18-21,41-44,47-56,62,110-111H,11-17,22-40,80-82H2,1-4H3,(H2,83,112)(H2,84,113)(H,94,114)(H,95,120)(H,96,129)(H,97,115)(H,98,121)(H,99,128)(H,100,116)(H,101,117)(H,102,118)(H,103,124)(H,104,123)(H,105,122)(H,106,126)(H,107,119)(H,108,125)(H,109,127)(H,130,131)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t41-,42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,62-/m0/s1
PubChem CID44588833
ChEMBLCHEMBL500773
IUPHARN/A
BindingDB50274455
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
418896Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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