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

NameCHEMBL1790736
Molecular formulaC16H22ClN5O3
IUPAC name(2R,3S,5R)-5-[2-chloro-6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Molecular weight367.834
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.3
Synonyms2-Chloro-N-cyclohexyl-2'-deoxyadenosine
Adenosine, 2-chloro-N-cyclohexyl-2'-deoxy-
BDBM50369637
SCHEMBL7654753
Inchi KeyAGLVJWCZPBFXMM-QJPTWQEYSA-N
Inchi IDInChI=1S/C16H22ClN5O3/c17-16-20-14(19-9-4-2-1-3-5-9)13-15(21-16)22(8-18-13)12-6-10(24)11(7-23)25-12/h8-12,23-24H,1-7H2,(H,19,20,21)/t10-,11+,12+/m0/s1
PubChem CID56664850
ChEMBLCHEMBL1790736
IUPHARN/A
BindingDB50369637
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
5005Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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