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GPCR

NameCysteinyl leukotriene receptor 1
SpeciesHomo sapiens (Human)
GeneCYSLTR1
SynonymLTD4 receptor
LTD4
leukotriene D4 receptor
HMTMF81
HG55
[ Show all ]
DiseaseN/A
Length337
Amino acid sequenceMDETGNLTVSSATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIKTYHKKSAFQVYMINLAVADLLCVCTLPLRVVYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCIAIVFPVQNINLVTQKKARFVCVGIWIFVILTSSPFLMAKPQKDEKNNTKCFEPPQDNQTKNHVLVLHYVSLFVGFIIPFVIIIVCYTMIILTLLKKSMKKNLSSHKKAIGMIMVVTAAFLVSFMPYHIQRTIHLHFLHNETKPCDSVLRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRKRLSTFRKHSLSSVTYVPRKKASLPEKGEEICKV
UniProtQ9Y271
Protein Data BankN/A
GPCR-HGmod modelQ9Y271
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y271.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1798
IUPHAR269
DrugBankBE0000705

Ligand

NameCHEMBL33294
Molecular formulaC26H17NO5
IUPAC name4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
Molecular weight423.424
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.5
Synonyms4-Oxo-2-[4-(quinolin-2-ylmethoxy)-phenyl]-4H-chromene-8-carboxylic acid
VUF-4871
BDBM50064071
CPQMZGGGIONSEK-UHFFFAOYSA-N
4-oxo-2-(4-(quinolin-2-ylmethoxy)phenyl)-4H-chromene-8-carboxylic acid
[ Show all ]
Inchi KeyCPQMZGGGIONSEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)5-3-6-21(25)26(29)30)17-9-12-19(13-10-17)31-15-18-11-8-16-4-1-2-7-22(16)27-18/h1-14H,15H2,(H,29,30)
PubChem CID11796528
ChEMBLCHEMBL33294
IUPHARN/A
BindingDB50064071
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50530.0 nMPMID20621485BindingDB,ChEMBL

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