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

NameCHEMBL503007
Molecular formulaC32H36N4O6
IUPAC namemethyl 2-[3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate
Molecular weight572.662
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50417063
Inchi KeyCLVNHGRETDEYIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H36N4O6/c1-41-28-16-10-9-15-27(28)34-19-17-33(18-20-34)21-26(37)22-36-31(40)35(23-29(38)42-2)30(39)32(36,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26,37H,17-23H2,1-2H3
PubChem CID44586479
ChEMBLCHEMBL503007
IUPHARN/A
BindingDB50417063
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
45051Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
45052Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
45053Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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