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

NameCHEMBL261977
Molecular formulaC22H22N4S
IUPAC name8-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Molecular weight374.506
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM50407750
Inchi KeyDXTRNUSQQPMWSC-XBXARRHUSA-N
Inchi IDInChI=1S/C22H22N4S/c1-2-6-18(7-3-1)8-4-11-24-13-15-25(16-14-24)21-20-9-5-12-26(20)22-19(23-21)10-17-27-22/h1-10,12,17H,11,13-16H2/b8-4+
PubChem CID10833258
ChEMBLCHEMBL261977
IUPHARN/A
BindingDB50407750
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
716335-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
716345-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
716325-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
716305-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
716315-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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