Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1076586
Molecular formulaC26H23N3O2
IUPAC name[4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
Molecular weight409.489
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
SynonymsPeakdale1_001536
AC1MV1XZ
SCHEMBL14028477
HMS522F18
ZINC1501732
[ Show all ]
Inchi KeyAPHXKHUFVKITGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
PubChem CID3676358
ChEMBLCHEMBL1076586
IUPHARN/A
BindingDB50312770
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
109885-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
109905-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
10985Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
10986D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
10994D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
10989Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
10991Growth hormone secretagogue receptor type 1O08725GhsrRattus norvegicus (Rat)364
10995Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
10993Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
10987Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
10992Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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