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Ligand

NameDIPPA
Molecular formulaC22H23Cl2N3OS
IUPAC name2-(3,4-dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
Molecular weight448.406
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.0
Synonyms2-(3,4-Dichloro-phenyl)-N-[(S)-1-(3-isothiocyanato-phenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-acetamide
BDBM50035471
SCHEMBL7542731
2-(3,4-Dichlorophenyl)-N-methyl-N-[(S)-1-(3-isothiocyanatophenyl)-2-pyrrolizinoethyl]acetamide
CHEMBL38521
[ Show all ]
Inchi KeyBNAKCEFXXMHXDQ-OAQYLSRUSA-N
Inchi IDInChI=1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1
PubChem CID127914
ChEMBLCHEMBL38521
IUPHARN/A
BindingDB50035471
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
27907Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
27909Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
27904Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
27908Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
27905Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
27906Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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