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 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

NameCHEMBL556816
Molecular formulaC25H21BrCl3N5O3
IUPAC nameN-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-2-[(3-chlorophenyl)carbamoylamino]-N-methylacetamide
Molecular weight625.729
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.6
SynonymsCHEMBL1196403
N-[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-2-[3-(3-chloro-phenyl)-ureido]-N-methyl-acetamide; hydrochloride
SCHEMBL8559745
BDBM50067261
N-[2-[Methyl[2,4-dichloro-3-[[(2-methyl-3-bromoimidazo[1,2-a]pyridine-8-yl)oxy]methyl]phenyl]amino]-2-oxoethyl]-N'-(3-chlorophenyl)urea
Inchi KeyHKAFQVKVFBWIJW-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21BrCl3N5O3/c1-14-23(26)34-10-4-7-20(24(34)31-14)37-13-17-18(28)8-9-19(22(17)29)33(2)21(35)12-30-25(36)32-16-6-3-5-15(27)11-16/h3-11H,12-13H2,1-2H3,(H2,30,32,36)
PubChem CID10841637
ChEMBLN/A
IUPHARN/A
BindingDB50067261
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
117020B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
117021B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417