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

NameCHEMBL2409028
Molecular formulaC24H26N6OS
IUPAC name1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-5-pentyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
Molecular weight446.573
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50437427
Inchi KeySIHDMQQEFJZUAD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N6OS/c1-3-4-5-7-20-19(23(31)26-15-18-9-11-25-12-10-18)16-28-30(20)24-27-14-17(2)22(29-24)21-8-6-13-32-21/h6,8-14,16H,3-5,7,15H2,1-2H3,(H,26,31)
PubChem CID72163554
ChEMBLCHEMBL2409028
IUPHARN/A
BindingDB50437427
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
315049Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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