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

NameCHEMBL377765
Molecular formulaC18H18ClN3
IUPAC name3-chloro-6-piperidin-1-yl-11H-benzo[b][1,4]benzodiazepine
Molecular weight311.813
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
SynonymsAIPDTAGTECXKTJ-UHFFFAOYSA-N
SCHEMBL3411880
8-Chloro-11-(piperidin-1-yl)-5H-dibenzo[b,e][1,4]diazepine
Inchi KeyAIPDTAGTECXKTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18ClN3/c19-13-8-9-16-17(12-13)21-18(22-10-4-1-5-11-22)14-6-2-3-7-15(14)20-16/h2-3,6-9,12,20H,1,4-5,10-11H2
PubChem CID135502653
ChEMBLCHEMBL377765
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557458Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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