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Ligand

NameGR-159897
Molecular formulaC23H27FN2O2S
IUPAC name5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole
Molecular weight414.539
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
Synonyms158848-32-9
AKOS025147300
5-FLUORO-3-[2-[4-METHOXY-4-[[(R)-PHENYLSULPHINYL]METHYL]-1-PIPERIDINYL]ETHYL]-1H-INDOLE
MolPort-023-276-059
(R)-5-Fluoro-3-(2-(4-methoxy-4-((phenylsulfinyl)methyl)piperidin-1-yl)ethyl)-1H-indole
[ Show all ]
Inchi KeyBANYJBHWTOJQDU-GDLZYMKVSA-N
Inchi IDInChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3/t29-/m1/s1
PubChem CID9953599
ChEMBLCHEMBL2110370
IUPHAR2115
BindingDB50212987
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19023Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
19021Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
19022Substance-K receptorP21452TACR2Homo sapiens (Human)398
19024Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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