Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL2409013
Molecular formulaC25H29N7OS
IUPAC name5-butyl-N-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
Molecular weight475.615
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsSCHEMBL2391156
BDBM50437431
Inchi KeyAAUARBMANVIYBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N7OS/c1-4-5-10-20-17(24(33)29-19-9-6-8-18-23(19)31(3)15-27-18)14-28-32(20)25-26-13-16(2)22(30-25)21-11-7-12-34-21/h7,11-15,19H,4-6,8-10H2,1-3H3,(H,29,33)
PubChem CID60207828
ChEMBLCHEMBL2409013
IUPHARN/A
BindingDB50437431
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
547Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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