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Ligand

NameCHEMBL3955499
Molecular formulaC21H25Cl2N5O3S
IUPAC name4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-(3-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
Molecular weight498.423
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50199084
SCHEMBL1076908
Inchi KeySTJFVBFBEPDAGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25Cl2N5O3S/c1-14-4-2-8-28(13-14)21(29)19(6-9-27-7-3-5-15(27)12-24)26-32(30,31)16-10-17(22)20(25)18(23)11-16/h3,5,7,10-11,14,19,26H,2,4,6,8-9,13,25H2,1H3
PubChem CID58509063
ChEMBLCHEMBL3955499
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
544681C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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