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 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

NameN6-Cyclohexyladenosine
Molecular formulaC16H23N5O4
IUPAC name(2R,3R,4S,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight349.391
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.4
SynonymsN6-Cyclohexylado (CHA)
PDSP1_001023
ST24026156
(2R,3R,4S,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
AJ-48997
[ Show all ]
Inchi KeySZBULDQSDUXAPJ-XNIJJKJLSA-N
Inchi IDInChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
PubChem CID9841284
ChEMBLCHEMBL45891
IUPHAR423
BindingDB50009552
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
326766Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
326774Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
326776Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324
326777Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
326767Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
326768Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
326771Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
326772Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
326769Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
554882Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
326773Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
326775D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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