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Ligand

NameCHEMBL3909737
Molecular formulaC23H27N5O3S
IUPAC nameN-[1-(azepan-1-yl)-4-(2-cyanopyrrol-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
Molecular weight453.561
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50199076
SCHEMBL1310789
Inchi KeyFSSYBJXSLVWVER-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O3S/c24-17-18-7-6-15-27(18)16-11-21(23(29)28-13-3-1-2-4-14-28)26-32(30,31)22-9-5-8-20-19(22)10-12-25-20/h5-10,12,15,21,25-26H,1-4,11,13-14,16H2
PubChem CID58509377
ChEMBLCHEMBL3909737
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
538137C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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