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

NameCHEMBL3318835
Molecular formulaC50H56Cl2F2N2O6
IUPAC namebis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] octanedioate
Molecular weight889.903
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP10.2
SynonymsBDBM50053380
Inchi KeyDPDUJCCKQWFBBQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C50H56Cl2F2N2O6/c51-41-19-15-39(16-20-41)49(27-33-55(34-28-49)31-5-7-45(57)37-11-23-43(53)24-12-37)61-47(59)9-3-1-2-4-10-48(60)62-50(40-17-21-42(52)22-18-40)29-35-56(36-30-50)32-6-8-46(58)38-13-25-44(54)26-14-38/h11-26H,1-10,27-36H2
PubChem CID118709163
ChEMBLCHEMBL3318835
IUPHARN/A
BindingDB50053380
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
444276D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
444273D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
444275D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
444274D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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