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Ligand

NameCHEMBL386308
Molecular formulaC28H32N4O4S
IUPAC name2-methyl-N-[4-[[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
Molecular weight520.648
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.5
SynonymsSCHEMBL1339311
BDBM50203834
2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]piperidin-4-yl}amino)sulfonyl]-1-naphthyl}benzamide
2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]piperidin-4-yl}amino)sulfonyl]-1-naphthyl}benzamide)
Inchi KeyGKEJTJFRAKDFAV-VWLOTQADSA-N
Inchi IDInChI=1S/C28H32N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33)/t25-/m0/s1
PubChem CID10006907
ChEMBLCHEMBL386308
IUPHARN/A
BindingDB50203834
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
98566C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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