Home Research COVID-19 Services Publications People Teaching Job Opening News Forum -->
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 ●StarFunc ●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

NameCHEMBL500240
Molecular formulaC30H30ClN7O4
IUPAC name4-[5-chloro-1-[[3-[[4-(6-methoxypyridin-3-yl)benzoyl]amino]-2-methylphenyl]methyl]-6-oxopyridazin-4-yl]piperazine-2-carboxamide
Molecular weight588.065
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.5
SynonymsBDBM50413007
Inchi KeyOACZLQJNFVJISX-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30ClN7O4/c1-18-22(16-38-30(41)27(31)25(15-35-38)37-13-12-33-24(17-37)28(32)39)4-3-5-23(18)36-29(40)20-8-6-19(7-9-20)21-10-11-26(42-2)34-14-21/h3-11,14-15,24,33H,12-13,16-17H2,1-2H3,(H2,32,39)(H,36,40)
PubChem CID25209537
ChEMBLCHEMBL500240
IUPHARN/A
BindingDB50413007
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
236254Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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