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:

GPCR

NameAlpha-2B adrenergic receptor
SpeciesMus musculus (Mouse)
GeneAdra2b
Synonymalpha2B-adrenoceptor
alpha2B
alpha2-C2
alpha-2BAR
alpha-2B adrenoreceptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length450
Amino acid sequenceMVHQEPYSVQATAAIASAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFWRAWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQRPEPHGLPQCELNQEAWYILASSIGSFFAPCLIMILVYLRIYVIAKRSHCRGLGAKRGSGEGESKKPRPGPAAGGVPASAKVPTLVSPLSSVGEANGHPKPPREKEEGETPEDPEARALPPNWSALPRSVQDQKKGTSGATAEKGAEEDEEEVEECEPQTLPASPASVFNPPLQQPQTSRVLATLRGQVLLSKNVGVASGQWWRRRTQLSREKRFTFVLAVVIGVFVVCWFPFFFSYSLGAICPQHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRQWTQTGW
UniProtP30545
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2405
IUPHARN/A
DrugBankN/A

Ligand

NameN-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine
Molecular formulaC17H21NO
IUPAC nameN-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
Molecular weight255.361
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.7
Synonyms63940-51-2
VHGCDTVCOLNTBX-UHFFFAOYSA-N
Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine
(S)-Tomoxetine
Atomoxetine [INN]
[ Show all ]
Inchi KeyVHGCDTVCOLNTBX-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
PubChem CID6850813
ChEMBLCHEMBL299052
IUPHARN/A
BindingDB50022784
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1000.0 nMPMID12431845BindingDB

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