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 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

NameCID 15005338
Molecular formulaC33H29ClN4O3
IUPAC nameethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylpyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
Molecular weight565.07
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.0
SynonymsN/A
Inchi KeyARABSXBGVKXIKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H29ClN4O3/c1-4-41-33(40)30-29(25-10-5-6-12-26(25)34)28(32(39)38-27-13-7-8-18-36-27)21(3)37-31(30)23-16-14-22(15-17-23)24-11-9-19-35-20(24)2/h5-19,29,37H,4H2,1-3H3,(H,36,38,39)
PubChem CID15005338
ChEMBLCHEMBL106475
IUPHARN/A
BindingDBN/A
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
12243Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341
12244Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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