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

NameCHEMBL3221201
Molecular formulaC21H18Cl2N2O2S
IUPAC name(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3-one
Molecular weight433.347
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.7
Synonyms2-[3-(2,4-Dichlorobenzyloxy)benzylidene]-2,3,5,6,7,8-hexahydroimidazo[2,1-b][1,3]thiazepine-3-one
Inchi KeyWHWVZMKQQBJZQV-ODLFYWEKSA-N
Inchi IDInChI=1S/C21H18Cl2N2O2S/c22-16-7-6-15(18(23)12-16)13-27-17-5-3-4-14(10-17)11-19-20(26)25-8-1-2-9-28-21(25)24-19/h3-7,10-12H,1-2,8-9,13H2/b19-11-
PubChem CID11475997
ChEMBLCHEMBL3221201
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
373734Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
373735Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
373738Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
373737G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
373736N-arachidonyl glycine receptorQ14330GPR18Homo sapiens (Human)331

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