Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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

Name4-{[4-(diphenylmethyl)piperazin-1-yl]carbonyl}-2-methylphthalazin-1(2H)-one
Molecular formulaC27H26N4O2
IUPAC name4-(4-benzhydrylpiperazine-1-carbonyl)-2-methylphthalazin-1-one
Molecular weight438.531
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.8
SynonymsAC1M7Z7X
MLS001006609
CHEMBL1392224
MolPort-004-026-235
HMS2751P22
[ Show all ]
Inchi KeyACRPGFQTNGPPRE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26N4O2/c1-29-26(32)23-15-9-8-14-22(23)24(28-29)27(33)31-18-16-30(17-19-31)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,25H,16-19H2,1H3
PubChem CID2476953
ChEMBLCHEMBL1392224
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1845Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1846Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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