Home Research Services Publications People Teaching Job Opening Facilities 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 BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER 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

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

NameCHEMBL1834749
Molecular formulaC31H33N5O2
IUPAC name4-(8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
Molecular weight507.638
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50355070
Inchi KeyBLWSTOKILHXFGZ-MUUNZHRXSA-N
Inchi IDInChI=1S/C31H33N5O2/c1-21-29-27(8-6-16-32-29)31(38)36(34-21)25-13-11-23(12-14-25)30(37)33-28-9-5-7-24-19-22(10-15-26(24)28)20-35-17-3-2-4-18-35/h6,8,10-16,19,28H,2-5,7,9,17-18,20H2,1H3,(H,33,37)/t28-/m1/s1
PubChem CID56594771
ChEMBLCHEMBL1834749
IUPHARN/A
BindingDB50355070
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
27059B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
27060B1 bradykinin receptorP48748BDKRB1Oryctolagus cuniculus (Rabbit)352

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