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Ligand

NameCHEMBL510205
Molecular formulaC33H39N5O5
IUPAC name(2S)-2-[[(2S)-2-[[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-formylamino]-3-phenylpropanoyl]amino]-3-phenylpropanamide
Molecular weight585.705
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.8
SynonymsBDBM50278896
(S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(N-(1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)piperidin-4-yl)formamido)-3-phenylpropanamide
Inchi KeyBFEPZXGWESGXTC-DTXPUJKBSA-N
Inchi IDInChI=1S/C33H39N5O5/c34-28(19-25-11-13-27(40)14-12-25)33(43)37-17-15-26(16-18-37)38(22-39)30(21-24-9-5-2-6-10-24)32(42)36-29(31(35)41)20-23-7-3-1-4-8-23/h1-14,22,26,28-30,40H,15-21,34H2,(H2,35,41)(H,36,42)/t28-,29-,30-/m0/s1
PubChem CID44592574
ChEMBLCHEMBL510205
IUPHARN/A
BindingDB50278896
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22253Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
22252Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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