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Ligand

NameCHEMBL2259883
Molecular formulaC27H36N2O3S2
IUPAC nameN-methyl-N-[(E,2S)-3-methyl-2-[2-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)ethyl]pent-3-enyl]benzenesulfonamide
Molecular weight500.716
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.3
SynonymsN/A
Inchi KeyATYCZVDOJGEBRK-UQUOKOAISA-N
Inchi IDInChI=1S/C27H36N2O3S2/c1-4-22(2)23(20-28(3)34(31,32)24-10-6-5-7-11-24)14-17-29-18-15-27(16-19-29)21-33(30)26-13-9-8-12-25(26)27/h4-13,23H,14-21H2,1-3H3/b22-4+/t23-,33?/m1/s1
PubChem CID76311990
ChEMBLCHEMBL2259883
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14411C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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