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 DMFold 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

NameCHEMBL2207632
Molecular formulaC24H24N2O
IUPAC name1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine
Molecular weight356.469
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50401952
Inchi KeyHNCOLMVXXZHGHT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N2O/c1-3-19-17-20(22-10-6-4-5-9-21(19)22)18-25-13-15-26(16-14-25)23-11-7-8-12-24(23)27-2/h1,4-12,17H,13-16,18H2,2H3
PubChem CID71461481
ChEMBLCHEMBL2207632
IUPHARN/A
BindingDB50401952
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
1192425-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
119243D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
119241D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
119244D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
524980D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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