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

NameCID 29982233
Molecular formulaC15H21IN2O3
IUPAC name2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-iodo-3-methoxyphenolate
Molecular weight404.248
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.9
SynonymsN/A
Inchi KeyCANPFCFJURGKAX-JTQLQIEISA-N
Inchi IDInChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
PubChem CID29982233
ChEMBLCHEMBL267723
IUPHARN/A
BindingDB50012961
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37348D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
37349D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
37347D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
37350D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
37351D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
522641D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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