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GPCR

NameLeukotriene B4 receptor 2
SpeciesHomo sapiens (Human)
GeneLTB4R2
SynonymNOP9
12-HHT receptor
Seven transmembrane receptor BLTR2
LTB4-R2
LTB4-R 2
[ Show all ]
DiseaseInflammatory bowel disease
Length358
Amino acid sequenceMSVCYRPPGNETLLSWKTSRATGTAFLLLAALLGLPGNGFVVWSLAGWRPARGRPLAATLVLHLALADGAVLLLTPLFVAFLTRQAWPLGQAGCKAVYYVCALSMYASVLLTGLLSLQRCLAVTRPFLAPRLRSPALARRLLLAVWLAALLLAVPAAVYRHLWRDRVCQLCHPSPVHAAAHLSLETLTAFVLPFGLMLGCYSVTLARLRGARWGSGRHGARVGRLVSAIVLAFGLLWAPYHAVNLLQAVAALAPPEGALAKLGGAGQAARAGTTALAFFSSSVNPVLYVFTAGDLLPRAGPRFLTRLFEGSGEARGGGRSREGTMELRTTPQLKVVGQGRGNGDPGGGMEKDGPEWDL
UniProtQ9NPC1
Protein Data BankN/A
GPCR-HGmod modelQ9NPC1
3D structure modelThis predicted structure model is from GPCR-EXP Q9NPC1.
BioLiPN/A
Therapeutic Target DatabaseT30563
ChEMBLCHEMBL3191
IUPHAR268
DrugBankBE0003489

Ligand

NameCHEMBL1098560
Molecular formulaC36H38O8S
IUPAC name4-[3-[6-[3-(1,3-benzodioxol-5-yl)-5-thiophen-3-ylphenoxy]hexyl]-2-(2-carboxyethyl)phenoxy]butanoic acid
Molecular weight630.752
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP8.0
SynonymsSCHEMBL1689660
4-{3-[6-(3-benzo[1,3]dioxol-5-yl-5-thiophen-3-yl-phenoxy)-hexyl]-2-(2-carboxy-ethyl)-phenoxy}-butyric acid
Ro 5101576
BDBM50317626
SRPFDFNVILUDAI-UHFFFAOYSA-N
[ Show all ]
Inchi KeySRPFDFNVILUDAI-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H38O8S/c37-35(38)10-6-17-42-32-9-5-8-25(31(32)12-14-36(39)40)7-3-1-2-4-16-41-30-20-28(19-29(21-30)27-15-18-45-23-27)26-11-13-33-34(22-26)44-24-43-33/h5,8-9,11,13,15,18-23H,1-4,6-7,10,12,14,16-17,24H2,(H,37,38)(H,39,40)
PubChem CID25192022
ChEMBLCHEMBL1098560
IUPHAR6158
BindingDB50317626
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
IC50164.0 nMPMID20380377BindingDB,ChEMBL

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