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

NameCHEMBL41369
Molecular formulaC16H26ClN3O3
IUPAC name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(2-methoxyethoxy)benzamide
Molecular weight343.852
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.5
Synonyms4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(2-methoxyethoxy)benzamide
SCHEMBL9777127
4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(2-methoxy-ethoxy)-benzamide
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(2-methoxyethoxy)-benzamide
BDBM50023845
[ Show all ]
Inchi KeyOMSUUTLTLCFHGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H26ClN3O3/c1-4-20(5-2)7-6-19-16(21)12-10-13(17)14(18)11-15(12)23-9-8-22-3/h10-11H,4-9,18H2,1-3H3,(H,19,21)
PubChem CID14116937
ChEMBLCHEMBL41369
IUPHARN/A
BindingDB50023845
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
245223D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
245224D(2) dopamine receptorQ9GJU1DRD2Canis lupus familiaris (Dog)443

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