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Ligand

NameCHEMBL402986
Molecular formulaC15H16N4O2S2
IUPAC name5-benzylsulfanyl-7-[[(2R)-1-hydroxypropan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Molecular weight348.439
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM50371769
SCHEMBL841943
Inchi KeyZZAOLDVNKJEEFU-SECBINFHSA-N
Inchi IDInChI=1S/C15H16N4O2S2/c1-9(7-20)16-12-11-13(19-15(21)23-11)18-14(17-12)22-8-10-5-3-2-4-6-10/h2-6,9,20H,7-8H2,1H3,(H2,16,17,18,19,21)/t9-/m1/s1
PubChem CID12073809
ChEMBLCHEMBL402986
IUPHARN/A
BindingDB50371769
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
440995C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
440996CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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