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:

GPCR

NameAlpha-2A adrenergic receptor
SpeciesCavia porcellus (Guinea pig)
GeneADRA2A
SynonymAlpha-2A adrenoceptor
Alpha-2A adrenoreceptor
Alpha-2AAR
DiseaseN/A for non-human GPCRs
Length450
Amino acid sequenceMGSLQPDSGNASWNGTEGPGGGTRATPYSLQVTVTLVCLVGLLILLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISFEKAGGGGQQPAEPRCEINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAHAAAPPGGAERRPNGLGLERGVGPGGAEAEPLPTQVNGAPGEPAPAGPRDAEALDLEESSSSEHAERPPGARRPERGLRAKSKARASQVKPGDSLPRRAPGAAGSGTSGSGPGEERGGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProtQ60474
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

NameRauwolscine
Molecular formulaC21H26N2O3
IUPAC namemethyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular weight354.45
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsBRD-K77474816-003-04-2
DSSTox_RID_81001
KBio2_001938
Mesoyohimbine
NINDS_000414
[ Show all ]
Inchi KeyBLGXFZZNTVWLAY-DIRVCLHFSA-N
Inchi IDInChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1
PubChem CID643606
ChEMBLCHEMBL10347
IUPHAR223, 136
BindingDB50026636
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5.0 nMPMID2867217BindingDB
Ki8.0 nMPMID2867217BindingDB

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