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Ligand

NameCHEMBL405645
Molecular formulaC60H98N22O15
IUPAC name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-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-(diaminomethylideneamino)pentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
Molecular weight1367.58
Hydrogen bond acceptor20
Hydrogen bond donor22
XlogP-7.3
SynonymsN/A
Inchi KeyMQWVPDARSJDVSG-RWDFPFHBSA-N
Inchi IDInChI=1S/C60H98N22O15/c1-33(74-46(86)31-73-58(97)48(35(3)84)82-56(95)43(28-37-17-8-5-9-18-37)76-47(87)30-71-45(85)29-72-52(91)38(63)27-36-15-6-4-7-16-36)50(89)78-42(22-14-26-70-60(67)68)54(93)80-40(20-12-24-62)55(94)81-44(32-83)57(96)75-34(2)51(90)79-41(21-13-25-69-59(65)66)53(92)77-39(49(64)88)19-10-11-23-61/h4-9,15-18,33-35,38-44,48,83-84H,10-14,19-32,61-63H2,1-3H3,(H2,64,88)(H,71,85)(H,72,91)(H,73,97)(H,74,86)(H,75,96)(H,76,87)(H,77,92)(H,78,89)(H,79,90)(H,80,93)(H,81,94)(H,82,95)(H4,65,66,69)(H4,67,68,70)/t33-,34-,35+,38-,39-,40-,41-,42-,43-,44-,48-/m0/s1
PubChem CID44414340
ChEMBLCHEMBL405645
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
212065Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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