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

NameCHEMBL570400
Molecular formulaC16H11BrClN3
IUPAC nameN-[(E)-(4-bromophenyl)methylideneamino]-7-chloroquinolin-4-amine
Molecular weight360.639
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.2
SynonymsAKOS001094758
MolPort-002-578-359
4-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-7-chloroquinoline
N-[(E)-(4-bromophenyl)methyleneamino]-7-chloro-quinolin-4-amine
AB00730339-01
[ Show all ]
Inchi KeyAIFWTMNQUGHJCM-KEBDBYFISA-N
Inchi IDInChI=1S/C16H11BrClN3/c17-12-3-1-11(2-4-12)10-20-21-15-7-8-19-16-9-13(18)5-6-14(15)16/h1-10H,(H,19,21)/b20-10+
PubChem CID9632496
ChEMBLCHEMBL570400
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6177Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
6178Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
463622Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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