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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

NameCHEMBL3403188
Molecular formulaC32H31NO7
IUPAC name1-(3-carboxypropyl)-4-oxo-5-[(E)-2-[4-(4-phenoxybutoxy)phenyl]ethenyl]quinoline-3-carboxylic acid
Molecular weight541.6
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.5
SynonymsBDBM50066950
Inchi KeyFKMWHFNAFDBNRL-DTQAZKPQSA-N
Inchi IDInChI=1S/C32H31NO7/c34-29(35)12-7-19-33-22-27(32(37)38)31(36)30-24(8-6-11-28(30)33)16-13-23-14-17-26(18-15-23)40-21-5-4-20-39-25-9-2-1-3-10-25/h1-3,6,8-11,13-18,22H,4-5,7,12,19-21H2,(H,34,35)(H,37,38)/b16-13+
PubChem CID118729614
ChEMBLCHEMBL3403188
IUPHARN/A
BindingDB50066950
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
IC50250.0 nMPMID25800431BindingDB,ChEMBL

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