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

NameCHEMBL3247303
Molecular formulaC16H24N2O3
IUPAC name7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
Molecular weight292.379
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP1.3
SynonymsN/A
Inchi KeyNHRODMGFZSGUAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H24N2O3/c1-11(2)18-9-13(19)10-21-14-5-6-15-12(8-14)4-3-7-17-16(15)20/h5-6,8,11,13,18-19H,3-4,7,9-10H2,1-2H3,(H,17,20)
PubChem CID90672831
ChEMBLCHEMBL3247303
IUPHARN/A
BindingDBN/A
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
223492Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
223493Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418

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