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 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

Name8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
Molecular formulaC25H22FN3O3
IUPAC name8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
Molecular weight431.467
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsHMS1809K10
AKOS000629629
MolPort-000-410-868
8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-7,8,9,10-tetrahydropyrazol o[1,5-a]quinazolin-6-one
STK231415
[ Show all ]
Inchi KeyADPUTCZLQJJHFX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22FN3O3/c1-14-24(15-4-7-18(26)8-5-15)25-27-13-19-20(29(25)28-14)10-17(11-21(19)30)16-6-9-22(31-2)23(12-16)32-3/h4-9,12-13,17H,10-11H2,1-3H3
PubChem CID3162808
ChEMBLCHEMBL1316500
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
2946Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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