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

NameCHEMBL388087
Molecular formulaC18H16N4OS
IUPAC name5-benzyl-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Molecular weight336.413
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
SynonymsAKOS022110339
MolPort-002-542-364
3-Benzyl-9-dimethylamino-3H-pyrido[3'',2'':4,5]thieno[3,2-d]pyrimidin-4-one
SMR000036367
9-dimethylamino-3-benzyl-3H-5-thia-1,3,6-triazafluoren-4-one
[ Show all ]
Inchi KeyAVJJIBOWEKYOER-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16N4OS/c1-21(2)13-8-9-19-17-14(13)15-16(24-17)18(23)22(11-20-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
PubChem CID657896
ChEMBLCHEMBL388087
IUPHARN/A
BindingDB50177064
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15345Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199
15348Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
15347Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203
15349Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
15346Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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