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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

NameCHEMBL352863
Molecular formulaC29H36N2O6
IUPAC name7-[3-[4-(1H-imidazol-5-yl)-3-methoxy-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
Molecular weight508.615
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.4
SynonymsBDBM50033750
L006008
7-[3-[2-Propyl-3-methoxy-4-(3H-imidazol-4-yl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
SCHEMBL8990542
7-{3-[4-(3H-Imidazol-4-yl)-3-methoxy-2-propyl-phenoxy]-propoxy}-8-propyl-chroman-2-carboxylic acid
Inchi KeyCZEHYXIKXRRVEW-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H36N2O6/c1-4-7-21-24(12-9-19-10-13-26(29(32)33)37-27(19)21)35-15-6-16-36-25-14-11-20(23-17-30-18-31-23)28(34-3)22(25)8-5-2/h9,11-12,14,17-18,26H,4-8,10,13,15-16H2,1-3H3,(H,30,31)(H,32,33)
PubChem CID10391552
ChEMBLCHEMBL352863
IUPHARN/A
BindingDB50033750
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
IC50520.0 nMPMID7699700BindingDB,ChEMBL

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