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

NameCHEMBL302396
Molecular formulaC23H27N3O3S
IUPAC nameN-propyl-N-(1-thiophen-2-ylcyclopropyl)-4-(2,4,6-trimethoxyphenyl)pyrimidin-2-amine
Molecular weight425.547
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50144190
Propyl-(1-thiophen-2-yl-cyclopropyl)-[4-(2,4,6-trimethoxy-phenyl)-pyrimidin-2-yl]-amine
Inchi KeyBBVBVFFELLROLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N3O3S/c1-5-12-26(23(9-10-23)20-7-6-13-30-20)22-24-11-8-17(25-22)21-18(28-3)14-16(27-2)15-19(21)29-4/h6-8,11,13-15H,5,9-10,12H2,1-4H3
PubChem CID44305986
ChEMBLCHEMBL302396
IUPHARN/A
BindingDB50144190
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
19865Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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