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

NameCHEMBL1809024
Molecular formulaC24H24N4O2S
IUPAC name(6aR,9R)-9-(pyrrolidine-1-carbonyl)-N-thiophen-3-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight432.542
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50349660
Inchi KeyBDJRXALNVVZVFG-IIBYNOLFSA-N
Inchi IDInChI=1S/C24H24N4O2S/c29-23(27-7-1-2-8-27)16-10-19-18-4-3-5-20-22(18)15(12-25-20)11-21(19)28(13-16)24(30)26-17-6-9-31-14-17/h3-6,9-10,12,14,16,21,25H,1-2,7-8,11,13H2,(H,26,30)/t16-,21-/m1/s1
PubChem CID56673940
ChEMBLCHEMBL1809024
IUPHARN/A
BindingDB50349660
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
20993C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
20994C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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