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

NameCHEMBL3663573
Molecular formulaC24H25F3N6O2
IUPAC name[2-(2,4-dimethylpyrazol-3-yl)-6-methoxyphenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight486.499
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.3
SynonymsUS9062078, 292
BDBM164162
SCHEMBL16081368
Inchi KeyFQGVMFCTXQTZLC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25F3N6O2/c1-13-10-30-32(2)22(13)15-5-4-6-18(35-3)21(15)23(34)33-14-7-8-17(33)16(9-14)31-20-12-28-19(11-29-20)24(25,26)27/h4-6,10-12,14,16-17H,7-9H2,1-3H3,(H,29,31)
PubChem CID90445371
ChEMBLCHEMBL3663573
IUPHARN/A
BindingDB164162
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
517744Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
473350Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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