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

NameCHEMBL16010
Molecular formulaC29H23N5O
IUPAC name4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
Molecular weight457.537
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.5
Synonyms2-Phenyl-4-[(2,2-diphenylethyl)amino][1,2,4]triazolo[4,3-a]quinoxaline-1(2H)-one
BDBM50086142
4-(2,2-Diphenyl-ethylamino)-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
Inchi KeyDGGBTTQRSUZHEO-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H23N5O/c35-29-33-26-19-11-10-18-25(26)31-27(28(33)32-34(29)23-16-8-3-9-17-23)30-20-24(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-19,24H,20H2,(H,30,31)
PubChem CID10551807
ChEMBLCHEMBL16010
IUPHARN/A
BindingDB50086142
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
59231Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
59232Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
59230Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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