Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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:

GPCR

NameAlpha-2B adrenergic receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneADRA2B
SynonymAlpha-2B adrenoceptor
Alpha-2B adrenoreceptor
Alpha-2BAR
DiseaseN/A for non-human GPCRs
Length394
Amino acid sequenceAIAAVITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNCKRTPRRIKCIILTVWLIAAAISLPPLIYKGDQGPQPHGAPQCKLNQEAWYILSSSLGSFFVPCLIMILVYLRIYLIAKRSHRRGPRAKGGPGEGESRQACPVPGGPSASAKLPTLATPVASASEANGPSKPAGEKEEGETPEDPGTQALPPGWATLPNSGQGQKEGVSGASLEEEAEEEEEEEEEEDEPQAVPVSPASVGSPPLQQPQGSRVLATLRGQVLVGRGVGAMSGQWWRRRAQLSREKRFTFVLAVVIGVFVLCWFPFFFSYSLSAICPQQCRVPHGLF
UniProtO77830
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameAC1NKXXY
Molecular formulaC17H19N3O
IUPAC name3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate
Molecular weight281.359
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.3
SynonymsMolPort-000-771-097
STL054299
AKOS005707227
MCULE-3004652227
3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate
[ Show all ]
Inchi KeyMRBDMNSDAVCSSF-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
PubChem CID4920903
ChEMBLCHEMBL597
IUPHAR502
BindingDB31046
DrugBankDB00692

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki18.4 nMPMID11408545BindingDB
Ki24.1 nMPMID11408545BindingDB

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