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GPCR

NameCysteinyl leukotriene receptor 1
SpeciesCavia porcellus (Guinea pig)
GeneCYSLTR1
SynonymCysLTR1
Cysteinyl leukotriene D4 receptor
LTD4 receptor
DiseaseN/A for non-human GPCRs
Length340
Amino acid sequenceMDETGNPTIPPASNNTCYDSIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLVKTYHEKSAFQVYMINLAVADLLCVCTLPLRVAYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCVAIVFPVQNISLVTQKKARLVCIAIWMFVILTSSPFLMANTYKDEKNNTKCFEPPQDNQAKNYVLILHYVSLFIGFIIPFITIIVCYTMIIFTLLKSSMKKNLSSRKRAIGMIIVVTAAFLVSFMPYHIQRTIHLHFLHNKTKPCDSILRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRRRLSTIRKYSLSSMTYIPKKKTSLPQKGKDICKE
UniProtQ2NNR5
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5645
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL555910
Molecular formulaC37H29F2N3O2
IUPAC name4-[[5-[[3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]methyl]benzoic acid
Molecular weight585.655
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50296088
4-((5-(3-(2-(6,7-difluoroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)methyl)benzoic acid
Inchi KeyFEBXKJNGRCVYFS-GXDHUFHOSA-N
Inchi IDInChI=1S/C37H29F2N3O2/c38-32-19-28-13-15-29(40-34(28)20-33(32)39)14-10-24-4-3-5-26(18-24)22-42-35-7-2-1-6-30(35)31-23-41(17-16-36(31)42)21-25-8-11-27(12-9-25)37(43)44/h1-15,18-20H,16-17,21-23H2,(H,43,44)/b14-10+
PubChem CID45270885
ChEMBLCHEMBL555910
IUPHARN/A
BindingDB50296088
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC503.0 nMPMID19505824BindingDB,ChEMBL

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