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Ligand

NameCHEMBL253921
Molecular formulaC20H25N5O5S
IUPAC name3-[[4-[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight447.51
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM50227006
SCHEMBL13405687
3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1,1-dioxo-1H-1lambda6-[1,2,5]thiadiazol-3-ylamino]-2-hydroxy-N,N-dimethyl-benzamide
Inchi KeyBDLSEEFGQREQHH-INIZCTEOSA-N
Inchi IDInChI=1S/C20H25N5O5S/c1-20(2,3)16(14-10-7-11-30-14)22-18-17(23-31(28,29)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1
PubChem CID135539055
ChEMBLCHEMBL253921
IUPHARN/A
BindingDB50227006
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
557933C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
557934C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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