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

NameCHEMBL2113718
Molecular formulaC16H18N4
IUPAC name4-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrrole-2-carbonitrile
Molecular weight266.348
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.2
Synonyms4-(4-Phenylpiperazinomethyl)-1H-pyrrole-2-carbonitrile
BDBM50403915
Inchi KeyAPOXKSCRLNZDPC-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
PubChem CID71458071
ChEMBLCHEMBL2113718
IUPHARN/A
BindingDB50403915
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
111965-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
111915-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
11195D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
11192D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
11193D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
11194D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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