Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL224375
Molecular formulaC18H13F3N4OS
IUPAC name13-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Molecular weight390.384
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.1
SynonymsSCHEMBL8236636
BDBM50177057
9-dimethylamino-3-(p-trifluoromethylphenyl)-3H-5-thia-1,3,6-triazafluoren-4-one
9-Dimethylamino-3-(4-trifluoromethyl-phenyl)-3H-pyrido[3'',2'':4,5]thieno[3,2-d]pyrimidin-4-one
Inchi KeyBHDZUAZIRRYQON-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H13F3N4OS/c1-24(2)12-7-8-22-16-13(12)14-15(27-16)17(26)25(9-23-14)11-5-3-10(4-6-11)18(19,20)21/h3-9H,1-2H3
PubChem CID11560185
ChEMBLCHEMBL224375
IUPHARN/A
BindingDB50177057
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23673Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199
23675Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
23674Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203
23676Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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