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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

NameCHEMBL555048
Molecular formulaC38H31F2N3O3
IUPAC name2-[2-[5-[[3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethoxy]benzoic acid
Molecular weight615.681
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50296089
2-(2-(5-(3-(2-(6,7-difluoroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)ethoxy)benzoic acid
Inchi KeyDURQOFQIVXVCQC-WYMLVPIESA-N
Inchi IDInChI=1S/C38H31F2N3O3/c39-32-21-27-13-15-28(41-34(27)22-33(32)40)14-12-25-6-5-7-26(20-25)23-43-35-10-3-1-8-29(35)31-24-42(17-16-36(31)43)18-19-46-37-11-4-2-9-30(37)38(44)45/h1-15,20-22H,16-19,23-24H2,(H,44,45)/b14-12+
PubChem CID45268321
ChEMBLCHEMBL555048
IUPHARN/A
BindingDB50296089
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
IC500.91 nMPMID19505824BindingDB,ChEMBL

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