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Ligand

NameCHEMBL523645
Molecular formulaC21H18F5N3O5
IUPAC name3-[[3,4-dioxo-2-[[(1S)-2,2,3,3,3-pentafluoro-1-(5-methylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight487.383
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogP4.0
SynonymsSCHEMBL12262976
BDBM50248456
(S)-3-(3,4-dioxo-2-(2,2,3,3,3-pentafluoro-1-(5-methylfuran-2-yl)propylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyIACZVCYFISPAOZ-SFHVURJKSA-N
Inchi IDInChI=1S/C21H18F5N3O5/c1-9-7-8-12(34-9)18(20(22,23)21(24,25)26)28-14-13(16(31)17(14)32)27-11-6-4-5-10(15(11)30)19(33)29(2)3/h4-8,18,27-28,30H,1-3H3/t18-/m0/s1
PubChem CID44565052
ChEMBLCHEMBL523645
IUPHARN/A
BindingDB50248456
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
128299C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
128298C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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