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Ligand

NameCHEMBL3604502
Molecular formulaC22H23ClN4O4S
IUPAC name2-[[3-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]pyrazin-2-yl]amino]acetic acid
Molecular weight474.96
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.2
SynonymsBDBM50113433
Inchi KeyIBEDSNAOJOARAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23ClN4O4S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)27-18-9-6-15(23)12-17(18)20-21(25-11-10-24-20)26-13-19(28)29/h4-12,27H,13H2,1-3H3,(H,25,26)(H,28,29)
PubChem CID122185766
ChEMBLCHEMBL3604502
IUPHARN/A
BindingDB50113433
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
478815C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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