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

NameSCHEMBL16222656
Molecular formulaC20H23ClN6O2S
IUPAC name6-[2-tert-butyl-9-[(3-chloropyridin-2-yl)methyl]purin-6-yl]-2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
Molecular weight446.954
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.4
SynonymsUS9505762, 162
AELZTFHFDZRLAS-UHFFFAOYSA-N
6-[2-tert-butyl-9-[(3-chloropyridin-2-yl)methyl]purin-6-yl]-2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
Inchi KeyAELZTFHFDZRLAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23ClN6O2S/c1-19(2,3)18-24-16-15(23-12-26(16)7-14-13(21)5-4-6-22-14)17(25-18)27-8-20(9-27)10-30(28,29)11-20/h4-6,12H,7-11H2,1-3H3
PubChem CID117687337
ChEMBLN/A
IUPHARN/A
BindingDB259794
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536007Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
536006Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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