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GPCR

NameBeta-2 adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdrb2
Synonymbeta2-adrenoceptor
Beta-2 adrenoreceptor
Beta-2 adrenoceptor
beta-2 adrenergic receptor
beta 2-AR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length418
Amino acid sequenceMEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQAIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRANLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
UniProtP10608
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3754
IUPHAR29
DrugBankN/A

Ligand

NameRS-102221
Molecular formulaC27H31F3N4O7S
IUPAC nameN-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
Molecular weight612.621
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogP2.7
SynonymsAC1MW45U
CHEMBL88402
N-{5-[5-(2,4-dioxo -1,3,8-triazaspiro[4.5]dec-8-yl)pentanoyl]-2,4-dimethoxyphenyl}-4-trifluoromethylbenzenesulfonamide
Biomol-NT_000133
HZZZZODVDSHQRG-UHFFFAOYSA-N
[ Show all ]
Inchi KeyHZZZZODVDSHQRG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)
PubChem CID3693566
ChEMBLCHEMBL88402
IUPHAR187
BindingDB85098
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID9225287BindingDB

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