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

NameCHEMBL2432060
Molecular formulaC21H26FN
IUPAC name(8S)-N-[3-(3-fluorophenyl)propyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Molecular weight311.444
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.8
SynonymsN/A
Inchi KeyCKFQOWSPJPMWEK-IINHSQADSA-N
Inchi IDInChI=1S/C21H26FN/c1-23(7-3-5-11-4-2-6-12(22)8-11)21-18-14-10-15-17-13(14)9-16(18)19(17)20(15)21/h2,4,6,8,13-21H,3,5,7,9-10H2,1H3/t13?,14?,15?,16?,17?,18?,19?,20?,21-/m0/s1
PubChem CID73349362
ChEMBLCHEMBL2432060
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 35
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
440255-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
440125-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
440085-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
440005-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
440115-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
440025-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
440105-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
440265-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
440235-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
439955-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
44003Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
44020Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
44013Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
43996Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
43992Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
44018Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
44015Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
44022Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
44001Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
44004D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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