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Ligand

NameCHEMBL472749
Molecular formulaC20H20FN3O5
IUPAC name3-[[2-[[(1S,2S)-2-fluoro-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight401.394
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.6
Synonyms3-(2-((1S,2S)-2-fluoro-1-(furan-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
BDBM50248337
Inchi KeyGAXCFOGLVNGOBY-IINYFYTJSA-N
Inchi IDInChI=1S/C20H20FN3O5/c1-10(21)14(13-8-5-9-29-13)23-16-15(18(26)19(16)27)22-12-7-4-6-11(17(12)25)20(28)24(2)3/h4-10,14,22-23,25H,1-3H3/t10-,14+/m0/s1
PubChem CID44564943
ChEMBLCHEMBL472749
IUPHARN/A
BindingDB50248337
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
91999C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
91998C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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