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Ligand

NameCHEMBL565416
Molecular formulaC29H36N4O5S2
IUPAC nameN-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide
Molecular weight584.75
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.5
Synonyms(R)-N-(4-(3,4-dimethoxyphenyl)-4-(1-oxo-4-(piperazin-1-yl)isoindolin-2-yl)butyl)-N-methylthiophene-2-sulfonamide
BDBM50302262
CMIWIFCLMXWFBM-XMMPIXPASA-N
SCHEMBL2344489
thiophene-2-sulfonic acid [(4R)-4-(3,4-dimethoxy-phenyl)-4-(1-oxo-4-piperazin-1-yl-1,3-dihydro-isoindol-2-yl)-butyl]-methyl-amide
Inchi KeyCMIWIFCLMXWFBM-XMMPIXPASA-N
Inchi IDInChI=1S/C29H36N4O5S2/c1-31(40(35,36)28-10-6-18-39-28)15-5-9-24(21-11-12-26(37-2)27(19-21)38-3)33-20-23-22(29(33)34)7-4-8-25(23)32-16-13-30-14-17-32/h4,6-8,10-12,18-19,24,30H,5,9,13-17,20H2,1-3H3/t24-/m1/s1
PubChem CID44597070
ChEMBLCHEMBL565416
IUPHARN/A
BindingDB50302262
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
45368Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386
45369Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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