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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL53195
Molecular formulaC32H35N7
IUPAC name7,12-bis(4-benzylpiperazin-1-yl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
Molecular weight517.681
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.6
SynonymsSCHEMBL8570453
BDBM50408169
Inchi KeyDEMZYMHKNNMIGU-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H35N7/c1-3-8-26(9-4-1)24-35-16-20-37(21-17-35)30-14-13-28-31(34-30)39-15-7-12-29(39)32(33-28)38-22-18-36(19-23-38)25-27-10-5-2-6-11-27/h1-15H,16-25H2
PubChem CID10553922
ChEMBLCHEMBL53195
IUPHARN/A
BindingDB50408169
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
579095-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
579115-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
579125-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
579135-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
579105-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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