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

NameCHEMBL64493
Molecular formulaC24H21N3O2S
IUPAC name(7-phenylmethoxyindol-1-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
Molecular weight415.511
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50038784
(7-Benzyloxy-indol-1-yl)-((R)-2-pyridin-3-yl-thiazolidin-4-yl)-methanone; compound with oxalic acid
CHEMBL1179198
Inchi KeyBJENIYJBEWYWPI-AJZOCDQUSA-N
Inchi IDInChI=1S/C24H21N3O2S/c28-24(20-16-30-23(26-20)19-9-5-12-25-14-19)27-13-11-18-8-4-10-21(22(18)27)29-15-17-6-2-1-3-7-17/h1-14,20,23,26H,15-16H2/t20-,23?/m0/s1
PubChem CID10476962
ChEMBLN/A
IUPHARN/A
BindingDB50038784
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
519812Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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