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

NameCHEMBL3957222
Molecular formulaC28H28N2O3
IUPAC name6,18-dimethoxy-19-phenylmethoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaene
Molecular weight440.543
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50195264
SCHEMBL19427751
Inchi KeyBBCCPQCCAUUIFQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28N2O3/c1-31-20-8-9-24-22(13-20)23-14-26-21-15-28(33-17-18-6-4-3-5-7-18)27(32-2)12-19(21)10-11-30(26)16-25(23)29-24/h3-9,12-13,15,26,29H,10-11,14,16-17H2,1-2H3
PubChem CID131978695
ChEMBLCHEMBL3957222
IUPHARN/A
BindingDB50195264
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536471Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
536470Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
536472Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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