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

NameCHEMBL171704
Molecular formulaC34H37Cl2N3O6
IUPAC name1'-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
Molecular weight654.585
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.1
SynonymsBDBM50217507
1-Methyl-1'-[2-[(5R)-3-(3,4,5-trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]spiro[indoline-3,4'-piperidine]-2-one
Inchi KeyDVJSFTVGIFGECU-UMSFTDKQSA-N
Inchi IDInChI=1S/C34H37Cl2N3O6/c1-37-27-8-6-5-7-24(27)33(32(37)41)11-14-38(15-12-33)16-13-34(23-9-10-25(35)26(36)19-23)20-39(21-45-34)31(40)22-17-28(42-2)30(44-4)29(18-22)43-3/h5-10,17-19H,11-16,20-21H2,1-4H3/t34-/m0/s1
PubChem CID44382154
ChEMBLCHEMBL171704
IUPHARN/A
BindingDB50217507
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
69986Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
69985Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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