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Ligand

NameCHEMBL3956601
Molecular formulaC23H24ClN3O5S
IUPAC name6-chloro-2-hydroxy-N,N-dimethyl-3-[[2-[[(5-methylfuran-2-yl)-(thiolan-2-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Molecular weight489.971
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.0
SynonymsSCHEMBL14894891
Inchi KeyBIVKRDOOTZFPRA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24ClN3O5S/c1-11-6-9-14(32-11)17(15-5-4-10-33-15)26-19-18(21(29)22(19)30)25-13-8-7-12(24)16(20(13)28)23(31)27(2)3/h6-9,15,17,25-26,28H,4-5,10H2,1-3H3
PubChem CID78098665
ChEMBLCHEMBL3956601
IUPHARN/A
BindingDB236790
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
536616C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
536615C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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