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Ligand

NameCHEMBL2349319
Molecular formulaC20H27N5O3S3
IUPAC name(2R)-2-[[2-amino-5-[(1S)-1-(3-methylsulfonylphenyl)ethyl]sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
Molecular weight481.648
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP4.0
SynonymsSCHEMBL213021
(2R)-2-{[2-Amino-5-({(1S)-1-[3-(methylsulfonyl)phenyl]ethyl}thio)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino}-4-methylpentan-1-ol
ZJTOCCMPRIUOGK-GXTWGEPZSA-N
(2R)-2-{[2-Amino-5-({(1S)-1-[3-(methylsulfonyl)phenyl]ethyl}thio)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-amino}-4-methylpentan-1-ol
BDBM50432468
Inchi KeyZJTOCCMPRIUOGK-GXTWGEPZSA-N
Inchi IDInChI=1S/C20H27N5O3S3/c1-11(2)8-14(10-26)22-17-16-18(23-19(21)30-16)25-20(24-17)29-12(3)13-6-5-7-15(9-13)31(4,27)28/h5-7,9,11-12,14,26H,8,10H2,1-4H3,(H3,21,22,23,24,25)/t12-,14+/m0/s1
PubChem CID11964579
ChEMBLCHEMBL2349319
IUPHARN/A
BindingDB50432468
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
430183C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
430182CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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