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Ligand

NameCHEMBL3913959
Molecular formulaC22H24ClN3O6S2
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]benzenesulfonamide
Molecular weight526.019
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP3.7
SynonymsSCHEMBL14894987
HCGUUQDQSYMJAU-UHFFFAOYSA-N
(+)-6-chloro-2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)-(tetrahydrothiophen-2-yl)methyl]amino}-3,4-dioxocyclobut-1-enylamino)benzenesulfonamide
6-chloro-2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)-(tetrahydrothiophen-2-yl)methyl]amino}-3,4-dioxocyclobut-1-enylamino)benzenesulfonamide
Inchi KeyHCGUUQDQSYMJAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24ClN3O6S2/c1-11-6-9-14(32-11)16(15-5-4-10-33-15)25-18-17(20(28)21(18)29)24-13-8-7-12(23)22(19(13)27)34(30,31)26(2)3/h6-9,15-16,24-25,27H,4-5,10H2,1-3H3
PubChem CID71526159
ChEMBLCHEMBL3913959
IUPHARN/A
BindingDB236813
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538706C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
538705C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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