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GPCR

NameLeukotriene B4 receptor 1
SpeciesHomo sapiens (Human)
GeneLTB4R
SynonymBLT1 receptor
BLTR
Chemoattractant receptor-like 1
G-protein coupled receptor 16
GPR16
[ Show all ]
DiseaseInflammatory disease
Inflammatory bowel disease
Human immunodeficiency virus infection
Pancreatic cancer
Psoriasis
[ Show all ]
Length352
Amino acid sequenceMNTTSSAAPPSLGVEFISLLAIILLSVALAVGLPGNSFVVWSILKRMQKRSVTALMVLNLALADLAVLLTAPFFLHFLAQGTWSFGLAGCRLCHYVCGVSMYASVLLITAMSLDRSLAVARPFVSQKLRTKAMARRVLAGIWVLSFLLATPVLAYRTVVPWKTNMSLCFPRYPSEGHRAFHLIFEAVTGFLLPFLAVVASYSDIGRRLQARRFRRSRRTGRLVVLIILTFAAFWLPYHVVNLAEAGRALAGQAAGLGLVGKRLSLARNVLIALAFLSSSVNPVLYACAGGGLLRSAGVGFVAKLLEGTGSEASSTRRGGSLGQTARSGPAALEPGPSESLTASSPLKLNELN
UniProtQ15722
Protein Data BankN/A
GPCR-HGmod modelQ15722
3D structure modelThis predicted structure model is from GPCR-EXP Q15722.
BioLiPN/A
Therapeutic Target DatabaseT59626
ChEMBLCHEMBL3911
IUPHAR267
DrugBankBE0003490

Ligand

NameCHEMBL171853
Molecular formulaC22H19NO2
IUPAC name(E)-N-(2-methoxyphenyl)-3-(4-phenylphenyl)prop-2-enamide
Molecular weight329.399
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50291508
(E)-3-Biphenyl-4-yl-N-(2-methoxy-phenyl)-acrylamide
Inchi KeyBXKSETGKBADRAP-DTQAZKPQSA-N
Inchi IDInChI=1S/C22H19NO2/c1-25-21-10-6-5-9-20(21)23-22(24)16-13-17-11-14-19(15-12-17)18-7-3-2-4-8-18/h2-16H,1H3,(H,23,24)/b16-13+
PubChem CID44385257
ChEMBLCHEMBL171853
IUPHARN/A
BindingDB50291508
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nM, Bioorg. Med. Chem. Lett., (1997) 7:7:949BindingDB,ChEMBL

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