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GPCR

NameAlpha-1B adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA1B
Synonymalpha1B-adrenoceptor
alpha1B-adrenergic receptor
Alpha-1B adrenoreceptor
Alpha-1B adrenoceptor
alpha 1B-adrenoreceptor
[ Show all ]
DiseasePsychiatric disorder
Hypertension
Exogenous obesity
Attention deficit hyperactivity disorder
Length520
Amino acid sequenceMNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
UniProtP35368
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT29500
ChEMBLCHEMBL232
IUPHAR23
DrugBankBE0000575

Ligand

NameCHEMBL18256
Molecular formulaC14H17N5
IUPAC nameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylimidazol-2-yl)aniline
Molecular weight255.325
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP0.7
SynonymsBDBM50222932
N-(1-Imidazoline-2-ylmethyl)-2-(1-methyl-1H-imidazole-2-yl)aniline
Inchi KeyAXBPYZBFXDVVMS-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H17N5/c1-19-9-8-17-14(19)11-4-2-3-5-12(11)18-10-13-15-6-7-16-13/h2-5,8-9,18H,6-7,10H2,1H3,(H,15,16)
PubChem CID44271932
ChEMBLCHEMBL18256
IUPHARN/A
BindingDB50222932
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5039.81 nMPMID12643939ChEMBL
EC5040.0 nMPMID12643939BindingDB
Max response104.0 %PMID12643939ChEMBL

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