Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1956989
Molecular formulaC23H27FN4O2
IUPAC name6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
Molecular weight410.493
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50365808
Inchi KeyAZYIPQZUIGVQDL-KRWDZBQOSA-N
Inchi IDInChI=1S/C23H27FN4O2/c1-15(2)27-10-4-5-17(13-27)14-28-16(3)26-22-21(23(28)29)11-20(12-25-22)30-19-8-6-18(24)7-9-19/h6-9,11-12,15,17H,4-5,10,13-14H2,1-3H3/t17-/m0/s1
PubChem CID57401798
ChEMBLCHEMBL1956989
IUPHARN/A
BindingDB50365808
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
18594Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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