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

NameCHEMBL1257811
Molecular formulaC23H28ClNO2
IUPAC name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one
Molecular weight385.932
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50328447
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one
Inchi KeyDRDXZCGSMVSSLQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28ClNO2/c1-17-5-6-18(2)21(16-17)22(26)4-3-13-25-14-11-23(27,12-15-25)19-7-9-20(24)10-8-19/h5-10,16,27H,3-4,11-15H2,1-2H3
PubChem CID49782603
ChEMBLCHEMBL1257811
IUPHARN/A
BindingDB50328447
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
668755-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
66874D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
66872D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
66873D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
523511D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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