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Ligand

NameCHEMBL2403216
Molecular formulaC50H71N15O10
IUPAC name(2S)-2-[[(2R)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(5-methoxy-1H-indol-3-yl)propanoyl]amino]-6-aminohexanamide
Molecular weight1042.21
Hydrogen bond acceptor13
Hydrogen bond donor15
XlogP-1.2
SynonymsN/A
Inchi KeyAQFOFSMOQYNDBF-NLDSVXPCSA-N
Inchi IDInChI=1S/C50H71N15O10/c1-28(66)61-40(9-6-22-58-50(55)56)46(72)64-42(24-30-12-16-32(68)17-13-30)48(74)65-41(23-29-10-14-31(67)15-11-29)47(73)63-39(8-5-21-57-49(53)54)45(71)60-27-36(44(70)62-38(43(52)69)7-3-4-20-51)35-26-59-37-19-18-33(75-2)25-34(35)37/h10-19,25-26,36,38-42,59,67-68H,3-9,20-24,27,51H2,1-2H3,(H2,52,69)(H,60,71)(H,61,66)(H,62,70)(H,63,73)(H,64,72)(H,65,74)(H4,53,54,57)(H4,55,56,58)/t36-,38-,39-,40-,41-,42-/m0/s1
PubChem CID71714523
ChEMBLCHEMBL2403216
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
11646Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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