Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1259062
Molecular formulaC26H28N2S
IUPAC name1-methyl-4-[3-(2-methylphenyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Molecular weight400.584
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.7
Synonyms1-Methyl-4-(8-o-tolyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-piperazine
BDBM50328490
Inchi KeyFUZKHNSFTYISEL-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28N2S/c1-19-7-3-5-9-22(19)20-11-12-26-23(17-20)24(28-15-13-27(2)14-16-28)18-21-8-4-6-10-25(21)29-26/h3-12,17,24H,13-16,18H2,1-2H3
PubChem CID49781676
ChEMBLCHEMBL1259062
IUPHARN/A
BindingDB50328490
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
87885Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
87887Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
87884Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
87886D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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