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

NameCHEMBL1778946
Molecular formulaC29H28N4O2
IUPAC name2-[6-[3-(azetidin-1-ylmethyl)phenyl]-4-oxo-2-phenylquinazolin-3-yl]-N-cyclopropylacetamide
Molecular weight464.569
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50345041
2-(6-(3-(azetidin-1-ylmethyl)phenyl)-4-oxo-2-phenylquinazolin-3(4H)-yl)-N-cyclopropylacetamide
Inchi KeyBBCVGKZTYXPRDM-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H28N4O2/c34-27(30-24-11-12-24)19-33-28(21-7-2-1-3-8-21)31-26-13-10-23(17-25(26)29(33)35)22-9-4-6-20(16-22)18-32-14-5-15-32/h1-4,6-10,13,16-17,24H,5,11-12,14-15,18-19H2,(H,30,34)
PubChem CID54584782
ChEMBLCHEMBL1778946
IUPHARN/A
BindingDB50345041
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
19390Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417