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 DMFold 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

NameCHEMBL182497
Molecular formulaC23H32Cl2N4O
IUPAC name3-(2,4-dichlorophenyl)-2,8-diethyl-7-heptan-4-yl-1-methyl-2H-purin-6-one
Molecular weight451.436
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP7.2
SynonymsSCHEMBL6328639
3-(2,4-Dichloro-phenyl)-2,8-diethyl-1-methyl-7-(1-propyl-butyl)-1,2,3,7-tetrahydro-purin-6-one
BDBM50152032
Inchi KeyFFMFDKHWLQEAOU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32Cl2N4O/c1-6-10-16(11-7-2)28-19(8-3)26-22-21(28)23(30)27(5)20(9-4)29(22)18-13-12-15(24)14-17(18)25/h12-14,16,20H,6-11H2,1-5H3
PubChem CID10161139
ChEMBLCHEMBL182497
IUPHARN/A
BindingDB50152032
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
77210Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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