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Ligand

NameCHEMBL317625
Molecular formulaC43H68N14O9
IUPAC name(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]hexanamide
Molecular weight925.106
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-3.2
SynonymsN/A
Inchi KeyKJZSGRRPBCFQJM-MXNVPNEBSA-N
Inchi IDInChI=1S/C43H68N14O9/c1-26(39(63)56-32(17-11-19-50-43(47)48)40(64)55-31(38(46)62)16-9-10-18-44)53-35(60)25-52-42(66)37(27(2)58)57-41(65)33(21-29-14-7-4-8-15-29)54-36(61)24-51-34(59)23-49-22-30(45)20-28-12-5-3-6-13-28/h3-8,12-15,26-27,30-33,37,49,58H,9-11,16-25,44-45H2,1-2H3,(H2,46,62)(H,51,59)(H,52,66)(H,53,60)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H4,47,48,50)/t26-,27+,30-,31-,32-,33-,37-/m0/s1
PubChem CID10772138
ChEMBLCHEMBL317625
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
170954Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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