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Ligand

NameCHEMBL567759
Molecular formulaC37H44N6O6S
IUPAC nameN-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
Molecular weight700.855
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50302253
N-((R)-4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SCHEMBL1472329
Inchi KeyDJKJQQZHJKJZBN-PDDLMNHVSA-N
Inchi IDInChI=1S/C37H44N6O6S/c1-24-35(25(2)40-39-24)50(46,47)38-18-10-15-30(28-16-17-32(48-4)33(23-28)49-5)43-36(44)29-13-9-14-31(34(29)37(43)45)42-21-19-41(20-22-42)26(3)27-11-7-6-8-12-27/h6-9,11-14,16-17,23,26,30,38H,10,15,18-22H2,1-5H3,(H,39,40)/t26-,30-/m1/s1
PubChem CID23627666
ChEMBLCHEMBL567759
IUPHARN/A
BindingDB50302253
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
61530Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389
61531Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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