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GPCR

NameAlpha-2B adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA2B
Synonymalpha2-C2
alpha2B
alpha2B-adrenoceptor
Alpha-2BAR
alpha-2B adrenoreceptor
[ Show all ]
DiseaseNeuropathic pain
Alcohol use disorders
Length450
Amino acid sequenceMDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProtP18089
Protein Data BankN/A
GPCR-HGmod modelP18089
3D structure modelThis predicted structure model is from GPCR-EXP P18089.
BioLiPN/A
Therapeutic Target DatabaseT41580
ChEMBLCHEMBL1942
IUPHAR26
DrugBankBE0000572

Ligand

NameAC1L1HUK
Molecular formulaC29H28ClN3O4
IUPAC nameN-[2-(4-acetamidophenyl)ethyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
Molecular weight518.01
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.2
SynonymsN-[2-(4-acetamidophenyl)ethyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
Inchi KeyAHMBOWOIHGCYBC-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H28ClN3O4/c1-18-25(17-28(35)31-15-14-20-4-10-23(11-5-20)32-19(2)34)26-16-24(37-3)12-13-27(26)33(18)29(36)21-6-8-22(30)9-7-21/h4-13,16H,14-15,17H2,1-3H3,(H,31,35)(H,32,34)
PubChem CID4297
ChEMBLN/A
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMhttp://pdsp.med.unc.edu/pdsp.phpPDSP

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