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

NameCHEMBL294394
Molecular formulaC15H19N3
IUPAC name1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine
Molecular weight241.338
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.2
Synonyms2-(4-Phenylpiperazinomethyl)-1H-pyrrole
KB-219694
BDBM50115719
1-phenyl-4-(1h-pyrrol-2-ylmethyl)piperazine
CTK0J4786
[ Show all ]
Inchi KeyDCDSVYQQSBWIRG-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H19N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h1-8,16H,9-13H2
PubChem CID12997400
ChEMBLCHEMBL294394
IUPHARN/A
BindingDB50115719
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
56254D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
56253D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
56251D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
56252D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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