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

NameCHEMBL123769
Molecular formulaC36H37N3O6
IUPAC name3-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 5-O-methyl 2,6-dimethyl-4-(4-nitrophenyl)pyridine-3,5-dicarboxylate
Molecular weight607.707
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP7.1
Synonyms2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicarboxylic acid 3-[3-(4,4-diphenyl-piperidin-1-yl)-propyl] ester 5-methyl ester
BDBM50030624
Inchi KeyBXERZGFRIILESM-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H37N3O6/c1-25-31(34(40)44-3)33(27-15-17-30(18-16-27)39(42)43)32(26(2)37-25)35(41)45-24-10-21-38-22-19-36(20-23-38,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18H,10,19-24H2,1-3H3
PubChem CID44348163
ChEMBLN/A
IUPHARN/A
BindingDB50030624
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35010Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
35012Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
35011Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
35014Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
35013Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
35015Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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