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Ligand

NameCID 136036533
Molecular formulaC21H27N5O4S
IUPAC name3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1-oxido-1,2,5-thiadiazol-1-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight445.538
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.8
SynonymsN/A
Inchi KeyHNQKLXTUDLBLDQ-AUBGMPCYSA-N
Inchi IDInChI=1S/C21H27N5O4S/c1-12-10-11-15(30-12)17(21(2,3)4)23-19-18(24-31(29)25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m0/s1
PubChem CID136036533
ChEMBLCHEMBL403206
IUPHARN/A
BindingDB50227001
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
561019C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
561018C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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