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

NameCHEMBL153038
Molecular formulaC26H24ClN3O2
IUPAC name3-chloro-4-hydroxy-N-[(E)-[1-[(4-propan-2-ylphenyl)methyl]indol-4-yl]methylideneamino]benzamide
Molecular weight445.947
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.9
Synonyms3-Chloro-4-hydroxy-benzoic acid [1-[1-(4-isopropyl-benzyl)-1H-indol-4-yl]-meth-(E)-ylidene]-hydrazide
3-Chloro-4-hydroxy-benzoic acid [1-(4-isopropyl-benzyl)-1H-indol-4-ylmethylene]-hydrazide
BDBM50110055
N''-((1-(4-isopropylbenzyl)-1H-indol-4-yl)methylene)-3-chloro-4-hydroxybenzohydrazide
Inchi KeyJJGVEWLQTOEULJ-RWPZCVJISA-N
Inchi IDInChI=1S/C26H24ClN3O2/c1-17(2)19-8-6-18(7-9-19)16-30-13-12-22-21(4-3-5-24(22)30)15-28-29-26(32)20-10-11-25(31)23(27)14-20/h3-15,17,31H,16H2,1-2H3,(H,29,32)/b28-15+
PubChem CID9824797
ChEMBLCHEMBL153038
IUPHARN/A
BindingDB50110055
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
152328Glucagon receptorP47871GCGRHomo sapiens (Human)477
152329Pituitary adenylate cyclase-activating polypeptide type I receptorP41586ADCYAP1R1Homo sapiens (Human)468

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