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

NameCHEMBL1784054
Molecular formulaC18H14ClN5OS
IUPAC name5-(4-chlorophenyl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Molecular weight383.854
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50345955
SCHEMBL8243245
3-(4-Chloro-phenyl)-9-(2-methyl-allylamino)-3H-thieno[2,3-d:4,5-d'']dipyrimidin-4-one
Inchi KeyBBGSZCOCMWDNJV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H14ClN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-11(19)4-6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22)
PubChem CID54579958
ChEMBLCHEMBL1784054
IUPHARN/A
BindingDB50345955
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
19478Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
19479Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199
19477Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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