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Ligand

NameCHEMBL51556
Molecular formulaC43H66N14O10
IUPAC name(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-(diaminomethylideneamino)pentanoyl]amino]hexanamide
Molecular weight939.089
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-3.5
SynonymsN/A
Inchi KeyOOTOPRVAVAABNG-IQVMWGKYSA-N
Inchi IDInChI=1S/C43H66N14O10/c1-25(38(63)56-31(17-11-19-49-43(47)48)40(65)55-30(37(46)62)16-9-10-18-44)53-34(60)24-52-42(67)36(26(2)58)57-41(66)32(21-28-14-7-4-8-15-28)54-35(61)23-50-33(59)22-51-39(64)29(45)20-27-12-5-3-6-13-27/h3-8,12-15,25-26,29-32,36,58H,9-11,16-24,44-45H2,1-2H3,(H2,46,62)(H,50,59)(H,51,64)(H,52,67)(H,53,60)(H,54,61)(H,55,65)(H,56,63)(H,57,66)(H4,47,48,49)/t25-,26+,29-,30-,31-,32-,36-/m0/s1
PubChem CID10748403
ChEMBLCHEMBL51556
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
246618Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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