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

NameCHEMBL1259097
Molecular formulaC27H30N2S
IUPAC name1-[3-(2,6-dimethylphenyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine
Molecular weight414.611
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.1
SynonymsBDBM50328494
1-(8-(2,5-Dimethylphenyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
Inchi KeyKQRHCJXCCFJNQW-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30N2S/c1-19-7-6-8-20(2)27(19)22-11-12-26-23(17-22)24(29-15-13-28(3)14-16-29)18-21-9-4-5-10-25(21)30-26/h4-12,17,24H,13-16,18H2,1-3H3
PubChem CID49781680
ChEMBLCHEMBL1259097
IUPHARN/A
BindingDB50328494
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
175842Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
175844Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
175843Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
175845D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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