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Ligand

NameSCHEMBL13207001
Molecular formulaC19H23N5O4S
IUPAC name2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide
Molecular weight417.484
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.5
SynonymsBDBM50226999
2-hydroxy-N,N-dimethyl-3-{4-[(R)-1-(5-methyl-furan-2-yl)-propylamino]-1-oxo-1H-1lambda4-[1,2,5]thiadiazol-3-ylamino}-benzamide
Inchi KeyBGHMYZUFTBKLKU-RNHBAAACSA-N
Inchi IDInChI=1S/C19H23N5O4S/c1-5-13(15-10-9-11(2)28-15)20-17-18(23-29(27)22-17)21-14-8-6-7-12(16(14)25)19(26)24(3)4/h6-10,13,25H,5H2,1-4H3,(H,20,22)(H,21,23)/t13-,29?/m1/s1
PubChem CID136097219
ChEMBLCHEMBL253306
IUPHARN/A
BindingDB50226999
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
557989C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
557990C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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