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Ligand

NameCHEMBL3933303
Molecular formulaC23H31N5O3S
IUPAC name3-amino-N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2,4-dimethylbenzenesulfonamide
Molecular weight457.593
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50199041
SCHEMBL1076696
Inchi KeyHYZFJWMTMNERTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N5O3S/c1-16-8-12-28(13-9-16)23(29)20(10-14-27-11-4-5-19(27)15-24)26-32(30,31)21-7-6-17(2)22(25)18(21)3/h4-7,11,16,20,26H,8-10,12-14,25H2,1-3H3
PubChem CID58509165
ChEMBLCHEMBL3933303
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
539191C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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