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 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

NameCHEMBL352615
Molecular formulaC34H39Cl2N3O7S
IUPAC name[(5R)-5-(3,4-dichlorophenyl)-5-[2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight704.66
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP5.2
Synonyms1-Mesyl-1'-[2-[(5R)-3-(3,4,5-trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]spiro[indoline-3,4'-piperidine]
Inchi KeyGVMXWDPIBITJQM-UMSFTDKQSA-N
Inchi IDInChI=1S/C34H39Cl2N3O7S/c1-43-29-17-23(18-30(44-2)31(29)45-3)32(40)38-21-34(46-22-38,24-9-10-26(35)27(36)19-24)13-16-37-14-11-33(12-15-37)20-39(47(4,41)42)28-8-6-5-7-25(28)33/h5-10,17-19H,11-16,20-22H2,1-4H3/t34-/m0/s1
PubChem CID44382024
ChEMBLCHEMBL352615
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
106388Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
106389Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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