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Ligand

NameCHEMBL1255058
Molecular formulaC29H37N5O5
IUPAC name(2R)-1-[(2S)-2-[[2-[(2R)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide
Molecular weight535.645
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.2
SynonymsBDBM50326886
(R)-1-((S)-2-(2-((R)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)pyrrolidin-2-yl)acetamido)-3-phenylpropanoyl)pyrrolidine-2-carboxamide
Inchi KeyCRCDRPXNSXPMAX-DDKRZIBASA-N
Inchi IDInChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23+,24+,25-/m1/s1
PubChem CID52941055
ChEMBLCHEMBL1255058
IUPHARN/A
BindingDB50326886
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
48673Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
48671Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
48670Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
48672Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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