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

NameCHEMBL88152
Molecular formulaC17H22N4O
IUPAC nameN-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-pyrazin-2-ylpropane-1,3-diamine
Molecular weight298.39
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50403500
Inchi KeyAYEIBIYQJYHJIA-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H22N4O/c1-2-5-16-14(4-1)6-7-15(22-16)12-18-8-3-9-20-17-13-19-10-11-21-17/h1-2,4-5,10-11,13,15,18H,3,6-9,12H2,(H,20,21)
PubChem CID44323231
ChEMBLCHEMBL88152
IUPHARN/A
BindingDB50403500
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
173795-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
173805-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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