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

NameCHEMBL3702438
Molecular formulaC22H18FN7O
IUPAC name2-(3-cyclopropyl-1,2,4-triazol-1-yl)-9-(3-fluoropyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
Molecular weight415.432
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP1.6
SynonymsSCHEMBL15488590
BDBM136035
US8853203, 88b
Inchi KeyBQZQFDZRXQZAGE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18FN7O/c23-21-20(24-7-8-25-21)16-3-1-2-15-14(16)6-9-29-17(15)10-18(26-11-19(29)31)30-12-27-22(28-30)13-4-5-13/h1-3,7-8,10,12-13H,4-6,9,11H2
PubChem CID89980684
ChEMBLCHEMBL3702438
IUPHARN/A
BindingDB136035
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
459489Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
459488Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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