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

NameCHEMBL397770
Molecular formulaC20H20Cl2N2O
IUPAC name4-(2,3-dichlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
Molecular weight375.293
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.3
SynonymsAKOS030550425
1-((1H-indol-3-yl)methyl)-4-(2,3-dichlorophenyl)piperidin-4-ol
BDBM50198272
4-(2,3-Dichlorophenyl)-1-[(1H-indol-3-yl)methyl]piperidin-4-ol
CTK3F8256
[ Show all ]
Inchi KeyASKCQUQTSBOXCM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20Cl2N2O/c21-17-6-3-5-16(19(17)22)20(25)8-10-24(11-9-20)13-14-12-23-18-7-2-1-4-15(14)18/h1-7,12,23,25H,8-11,13H2
PubChem CID44438197
ChEMBLCHEMBL397770
IUPHARN/A
BindingDB50198272
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13232D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
13231D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
13233D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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