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

NameAC1L1BPF
Molecular formulaC15H20ClN5O4
IUPAC name2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight369.806
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.8
Synonyms2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
2-CHLORO-N6-CYCLO-PENTYLADENOSINE
2-[2-chloro-6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
BDBM50008415
[ Show all ]
Inchi KeyXSMYYYQVWPZWIZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)
PubChem CID1547
ChEMBLN/A
IUPHARN/A
BindingDB50008415
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
399823Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
399824Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
399827Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
399829Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
399832Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324
399828Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
399830Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
399826Adenosine receptor A3P35342ADORA3Ovis aries (Sheep)317
399831Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
399825P2Y purinoceptor 2P58825P2RY2Cricetulus griseus (Chinese hamster)166

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