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

NameCHEMBL559633
Molecular formulaC20H28ClN3O
IUPAC name5-chloro-1-heptan-4-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one
Molecular weight361.914
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50293958
5-Chloro-1-(1-propylbutyl)-3-(2,4,6-trimethylphenylamino)-pyrazin-2(1H)-one
Inchi KeyCJZONCLALPIGBU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H28ClN3O/c1-6-8-16(9-7-2)24-12-17(21)22-19(20(24)25)23-18-14(4)10-13(3)11-15(18)5/h10-12,16H,6-9H2,1-5H3,(H,22,23)
PubChem CID44189949
ChEMBLCHEMBL559633
IUPHARN/A
BindingDB50293958
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43849Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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