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

NameCHEMBL2430977
Molecular formulaC23H25N7OS
IUPAC name(2S)-N-[2-methyl-5-[2-(methylamino)pyridin-4-yl]pyrazol-3-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
Molecular weight447.561
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.8
SynonymsBDBM50440713
Inchi KeySVSIQPATYGZVGT-FQEVSTJZSA-N
Inchi IDInChI=1S/C23H25N7OS/c1-24-21-11-17(8-9-26-21)19-12-22(30(2)29-19)28-23(31)20(10-16-6-4-3-5-7-16)27-14-18-13-25-15-32-18/h3-9,11-13,15,20,27H,10,14H2,1-2H3,(H,24,26)(H,28,31)/t20-/m0/s1
PubChem CID73353862
ChEMBLCHEMBL2430977
IUPHARN/A
BindingDB50440713
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
324471Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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