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

NameCHEMBL69968
Molecular formulaC18H19Cl2N5
IUPAC nameN-cyclopentyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-d]pyrimidin-7-amine
Molecular weight376.285
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50116121
Cyclopentyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-amine
N-Cyclopentyl-2,5-dimethyl-3-(2,4-dichlorophenyl)-2H-pyrazolo[4,3-d]pyrimidine-7-amine
Inchi KeyAIVYXSGNYNBFLN-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19Cl2N5/c1-10-21-15-16(18(22-10)23-12-5-3-4-6-12)24-25(2)17(15)13-8-7-11(19)9-14(13)20/h7-9,12H,3-6H2,1-2H3,(H,21,22,23)
PubChem CID44308187
ChEMBLCHEMBL69968
IUPHARN/A
BindingDB50116121
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
6575Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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