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

NameCHEMBL3686825
Molecular formulaC26H30N4O4
IUPAC name2-[2-[4-[[(2S,6S)-2-amino-6-methylmorpholin-4-yl]methyl]-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
Molecular weight462.55
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.0
SynonymsBDBM142191
US8933079, 5.10
Inchi KeyAMWRHENRCKUIKV-DFBJGRDBSA-N
Inchi IDInChI=1S/C26H30N4O4/c1-18-10-21(14-29-13-19(2)34-25(27)16-29)8-9-23(18)24(31)15-30-26(32)11-22(12-28-30)33-17-20-6-4-3-5-7-20/h3-12,19,25H,13-17,27H2,1-2H3/t19-,25-/m0/s1
PubChem CID91759572
ChEMBLCHEMBL3686825
IUPHARN/A
BindingDB142191
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
464011Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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