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

NameBDBM85398
Molecular formulaC28H32BrFN4
IUPAC nameN-[2-bromo-4-(2-methylpropyl)phenyl]-N-ethyl-4-[5-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylpyrimidin-2-amine
Molecular weight523.494
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP7.7
SynonymsCRA1001
Inchi KeyLHHWPOJOJLAJFX-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H32BrFN4/c1-5-34(26-12-11-21(14-19(2)3)16-25(26)29)28-31-20(4)15-27(32-28)33-13-7-9-23(18-33)22-8-6-10-24(30)17-22/h6,8-12,15-17,19H,5,7,13-14,18H2,1-4H3
PubChem CID57340110
ChEMBLN/A
IUPHARN/A
BindingDB85398
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
187540Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415
556227Corticotropin-releasing factor receptor 2P47866Crhr2Rattus norvegicus (Rat)411

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