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

NameCHEMBL256837
Molecular formulaC22H16ClF3N2O3
IUPAC name3-chloro-4-hydroxy-N-[(E)-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
Molecular weight448.826
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50374181
Inchi KeyCEPDAGIBNQXCJC-KKMKTNMSSA-N
Inchi IDInChI=1S/C22H16ClF3N2O3/c23-19-11-16(6-9-20(19)29)21(30)28-27-12-14-4-7-18(8-5-14)31-13-15-2-1-3-17(10-15)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+
PubChem CID44454004
ChEMBLCHEMBL256837
IUPHARN/A
BindingDB50374181
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
40121Pituitary adenylate cyclase-activating polypeptide type I receptorP41586ADCYAP1R1Homo sapiens (Human)468

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