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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

NameCHEMBL81817
Molecular formulaC22H24N2O5
IUPAC name2-[4-[3-[2-ethyl-5-hydroxy-4-(1H-pyrazol-5-yl)phenoxy]propoxy]phenyl]acetic acid
Molecular weight396.443
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.8
Synonyms2-(4-(3-(2-ethyl-5-hydroxy-4-(1H-pyrazol-5-yl)phenoxy)propoxy)phenyl)acetic acid
BDBM50039477
2-[4-[3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)phenoxy]propoxy]phenyl]acetic acid
(4-{3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-phenoxy]-propoxy}-phenyl)-acetic acid
Inchi KeyDUCALGCVCVJWDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N2O5/c1-2-16-13-18(19-8-9-23-24-19)20(25)14-21(16)29-11-3-10-28-17-6-4-15(5-7-17)12-22(26)27/h4-9,13-14,25H,2-3,10-12H2,1H3,(H,23,24)(H,26,27)
PubChem CID135507183
ChEMBLCHEMBL81817
IUPHARN/A
BindingDB50039477
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity54.0 nMPMID18386916ChEMBL
IC5054.0 nMPMID8057289BindingDB,ChEMBL

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