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

NameBW-723C86
Molecular formulaC16H18N2OS
IUPAC name1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
Molecular weight286.393
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
SynonymsBW-72386
1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
Biomol-NT_000128
D00ZCU
AC1N7TG2
[ Show all ]
Inchi KeyALFGDCNSEBJYSP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
PubChem CID4284720
ChEMBLCHEMBL1255834
IUPHAR161
BindingDB82472
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 30
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
81985-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
82065-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
82135-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
82045-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
81965-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
82085-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
82005-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5555125-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
81955-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
81995-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
81975-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
82165-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
82125-hydroxytryptamine receptor 4Q29006HTR4Sus scrofa (Pig)137
5555115-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406
82025-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5555135-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
5555145-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
8207Alpha-1A adrenergic receptorO02824ADRA1AOryctolagus cuniculus (Rabbit)466
8203Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
8215Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477

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