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

NameCHEMBL96385
Molecular formulaC16H11N3O
IUPAC name9-phenyl-3H-pyrimido[4,5-b]indol-4-one
Molecular weight261.284
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50014297
SCHEMBL14564553
9-Phenyl-3,9-dihydro-pyrimido[4,5-b]indol-4-one
4-Hydroxy-9-phenyl-9H-pyrimido[4,5-b]indole
9-Phenyl-9H-1,3,9-triaza-fluoren-4-ol
Inchi KeyZXMGBUXZYPSVIK-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H11N3O/c20-16-14-12-8-4-5-9-13(12)19(15(14)17-10-18-16)11-6-2-1-3-7-11/h1-10H,(H,17,18,20)
PubChem CID136044063
ChEMBLCHEMBL96385
IUPHARN/A
BindingDB50014297
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
439887Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
439888Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
439885Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
439886Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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