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

NameCHEMBL576631
Molecular formulaC17H19N5
IUPAC name7-benzyl-5-methyl-3,4,6,8,12-pentazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene
Molecular weight293.374
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
Synonyms4-Benzyl-3-methyl-7,8,9,10-tetrahyd ro-6H-1,2,3a,5,8-pentaaza-cyclohept a[e]indene
BDBM50301292
Inchi KeyBNWRHXNSEMHGSE-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19N5/c1-12-20-21-17-14-7-9-18-10-8-15(14)19-16(22(12)17)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
PubChem CID45484663
ChEMBLCHEMBL576631
IUPHARN/A
BindingDB50301292
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
285085-hydroxytryptamine receptor 2AO46635HTR2ACanis lupus familiaris (Dog)470

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