Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL574490
Molecular formulaC19H13Cl2N7O2
IUPAC name2-(2,6-dichlorophenyl)-N-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]acetamide
Molecular weight442.26
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50298517
5-[(2,6-Dichlorobenzyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine(
Inchi KeyAFSNHUCXKASIMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H13Cl2N7O2/c1-27-9-11-16(25-27)24-19(22-15(29)8-10-12(20)4-2-5-13(10)21)28-18(11)23-17(26-28)14-6-3-7-30-14/h2-7,9H,8H2,1H3,(H,22,24,25,29)
PubChem CID45482087
ChEMBLCHEMBL574490
IUPHARN/A
BindingDB50298517
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
4437Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
4438Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
4439Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
4436Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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