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

NameCHEMBL360492
Molecular formulaC11H13ClFN
IUPAC name7-chloro-8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Molecular weight213.68
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.8
SynonymsAELPHXGUKIVCSY-UHFFFAOYSA-N
8-Chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
BDBM50161633
(1R,S)-8-chloro-7-fluoro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine
SCHEMBL1094681
[ Show all ]
Inchi KeyAELPHXGUKIVCSY-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H13ClFN/c1-7-6-14-3-2-8-4-11(13)10(12)5-9(7)8/h4-5,7,14H,2-3,6H2,1H3
PubChem CID9990808
ChEMBLCHEMBL360492
IUPHARN/A
BindingDB50161633
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36175-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
36185-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
36165-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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