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Ligand

NameCHEMBL569689
Molecular formulaC33H40N4O6S
IUPAC nameN-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]methanesulfonamide
Molecular weight620.765
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50302245
N-((R)-4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)methanesulfonamide
Inchi KeyCTJVAFHXNBYPPI-YIXXDRMTSA-N
Inchi IDInChI=1S/C33H40N4O6S/c1-23(24-10-6-5-7-11-24)35-18-20-36(21-19-35)28-13-8-12-26-31(28)33(39)37(32(26)38)27(14-9-17-34-44(4,40)41)25-15-16-29(42-2)30(22-25)43-3/h5-8,10-13,15-16,22-23,27,34H,9,14,17-21H2,1-4H3/t23-,27-/m1/s1
PubChem CID45486917
ChEMBLCHEMBL569689
IUPHARN/A
BindingDB50302245
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
50160Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386
50161Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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