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Ligand

NameCHEMBL557243
Molecular formulaC32H35N5O5
IUPAC name(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,5-dihydropyrrole-2-carboxamide
Molecular weight569.662
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP2.5
SynonymsBDBM50295262
(S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
Inchi KeyALCQOUNQFVEEKI-LJWNLINESA-N
Inchi IDInChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-16,25-28,38H,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
PubChem CID11801160
ChEMBLCHEMBL557243
IUPHARN/A
BindingDB50295262
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8142Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
8143Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
8144Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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