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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

NameCHEMBL15648
Molecular formulaC24H30O7
IUPAC name2-[3-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-2-propylphenoxy]acetic acid
Molecular weight430.497
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50281875
{3-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propoxy]-2-propyl-phenoxy}-acetic acid
Inchi KeyCIWVPNKIARJXNJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30O7/c1-4-8-18-21(9-6-10-22(18)31-15-24(27)28)29-11-7-12-30-23-14-20(26)19(16(3)25)13-17(23)5-2/h6,9-10,13-14,26H,4-5,7-8,11-12,15H2,1-3H3,(H,27,28)
PubChem CID15839731
ChEMBLCHEMBL15648
IUPHARN/A
BindingDB50281875
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5067.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:6:1147BindingDB,ChEMBL
Kb30.0 nMBioorg. Med. Chem. Lett., (1993) 3:6:1147ChEMBL
Ki4.96 nMBioorg. Med. Chem. Lett., (1993) 3:6:1147ChEMBL
Ki5.0 nMN/ABindingDB

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