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

NameCHEMBL3797955
Molecular formulaC23H23ClN6O3
IUPAC name6-[(2S)-2-[5-chloro-3-[(6-methoxy-2,5-dimethylpyridin-3-yl)amino]-2-oxopyrazin-1-yl]-2-cyclopropylethoxy]pyridine-3-carbonitrile
Molecular weight466.926
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsN/A
Inchi KeyBITICEVAOACCIQ-GOSISDBHSA-N
Inchi IDInChI=1S/C23H23ClN6O3/c1-13-8-17(14(2)27-22(13)32-3)28-21-23(31)30(11-19(24)29-21)18(16-5-6-16)12-33-20-7-4-15(9-25)10-26-20/h4,7-8,10-11,16,18H,5-6,12H2,1-3H3,(H,28,29)/t18-/m1/s1
PubChem CID127047691
ChEMBLCHEMBL3797955
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522313Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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