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Ligand

NameCHEMBL1809010
Molecular formulaC26H26N4O4S
IUPAC name(6aR,9R)-9-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight490.578
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.5
SynonymsBDBM50349651
Inchi KeyLFLPETLMAIHEHG-WZONZLPQSA-N
Inchi IDInChI=1S/C26H26N4O4S/c31-25(29-9-11-35(33,34)12-10-29)18-13-21-20-7-4-8-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-5-2-1-3-6-19/h1-8,13,15,18,23,27H,9-12,14,16H2,(H,28,32)/t18-,23-/m1/s1
PubChem CID56663558
ChEMBLCHEMBL1809010
IUPHARN/A
BindingDB50349651
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
186099C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
186100C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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