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Ligand

NameBRD-A72341983-001-05-8
Molecular formulaC19H23ClN4O5S2
IUPAC name5-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylsulfonylpyrimidine-4-carboxamide
Molecular weight486.986
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.5
SynonymsAKOS001514873
MLS001116347
5-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylsulfonylpyrimidine-4-carboxamide
REGID_for_CID_16437205
5-chloro-N-{4-[(2-ethylpiperidin-1-yl)sulfonyl]phenyl}-2-(methylsulfonyl)pyrimidine-4-carboxamide
[ Show all ]
Inchi KeyISAAEPNCJSJWPZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23ClN4O5S2/c1-3-14-6-4-5-11-24(14)31(28,29)15-9-7-13(8-10-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,25)
PubChem CID16437205
ChEMBLCHEMBL1407961
IUPHARN/A
BindingDB54849
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
140519Apelin receptorP35414APLNRHomo sapiens (Human)380
140520G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
140518Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
140523Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699
140522Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
480233Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
140521Thyrotropin receptorP16473TSHRHomo sapiens (Human)764
140524Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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