Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

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
Synonyms5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole
CHEBI:92912
KB-309739
(r)-1-[2-(5-fluoro-1h-indol-3-yl) ethyl]-4-methoxy -4-[(phenyl-sulfinyl)methyl]-piperidine
5-Fluoro-3-[2-[4-methoxy-4-[[?-phenylsulphinyl]methyl]-1-piperidinyl]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

You can:

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

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218