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

NameCHEMBL303380
Molecular formulaC19H23Cl2N5
IUPAC nameN-butyl-3-(2,4-dichlorophenyl)-N-ethyl-2,5-dimethylpyrazolo[4,3-d]pyrimidin-7-amine
Molecular weight392.328
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM50116123
N-Ethyl-N-butyl-2,5-dimethyl-3-(2,4-dichlorophenyl)-2H-pyrazolo[4,3-d]pyrimidine-7-amine
Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-ethyl-amine
Inchi KeyAGQQWJNSMXZLLB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23Cl2N5/c1-5-7-10-26(6-2)19-17-16(22-12(3)23-19)18(25(4)24-17)14-9-8-13(20)11-15(14)21/h8-9,11H,5-7,10H2,1-4H3
PubChem CID44307491
ChEMBLCHEMBL303380
IUPHARN/A
BindingDB50116123
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5127Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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