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

NameCUMI-101
Molecular formulaC19H27N5O3
IUPAC name2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
Molecular weight373.457
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.8
Synonyms[11C]MMP
DTXSID80170856
SCHEMBL8558678
CHEMBL2413154
179756-61-7
[ Show all ]
Inchi KeyMEKSQRMXWZHFIP-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
PubChem CID21830793
ChEMBLCHEMBL2413154
IUPHARN/A
BindingDB86757
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 33
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2034875-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2035095-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
2035045-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2034775-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2034895-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
2034955-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2034935-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
2034865-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
203478Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
203494Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
203498Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
203503Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
203484Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
203499Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
203497Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
203508Alpha-2B adrenergic receptorO77700ADRA2BBos taurus (Bovine)392
203492Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
203500Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418
203482D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
203491D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446

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