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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

NameCHEMBL40009
Molecular formulaC30H40O5S
IUPAC name4-[(Z,4S,5R)-1-carboxy-4-hydroxy-16-phenylhexadec-6-en-5-yl]sulfanylbenzoic acid
Molecular weight512.705
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP8.1
SynonymsN/A
Inchi KeyDMBWGVJFKNBDQZ-ZRTRUNILSA-N
Inchi IDInChI=1S/C30H40O5S/c31-27(17-13-19-29(32)33)28(36-26-22-20-25(21-23-26)30(34)35)18-12-7-5-3-1-2-4-6-9-14-24-15-10-8-11-16-24/h8,10-12,15-16,18,20-23,27-28,31H,1-7,9,13-14,17,19H2,(H,32,33)(H,34,35)/b18-12-/t27-,28+/m0/s1
PubChem CID44285277
ChEMBLCHEMBL40009
IUPHARN/A
BindingDBN/A
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
Ki251.19 nMBioorg. Med. Chem. Lett., (1993) 3:8:1517ChEMBL

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