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Ligand

NameCHEMBL163974
Molecular formulaC26H26N6O6S2
IUPAC name2-[benzyl-[4-[2-[2-(1H-indol-3-yl)ethylcarbamothioyl]hydrazinyl]-3-nitrophenyl]sulfonylamino]acetic acid
Molecular weight582.65
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP4.5
SynonymsBDBM50097726
N-[3-Nitro-4-[3-[2-(1H-indole-3-yl)ethyl]thioureidoamino]phenylsulfonyl]-N-benzylglycine
Inchi KeyUDVDDJGMVOKXTE-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N6O6S2/c33-25(34)17-31(16-18-6-2-1-3-7-18)40(37,38)20-10-11-23(24(14-20)32(35)36)29-30-26(39)27-13-12-19-15-28-22-9-5-4-8-21(19)22/h1-11,14-15,28-29H,12-13,16-17H2,(H,33,34)(H2,27,30,39)
PubChem CID44375217
ChEMBLCHEMBL163974
IUPHARN/A
BindingDBN/A
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
334473B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396
334474Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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