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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

NameCHEMBL38052
Molecular formulaC31H34O7S
IUPAC name4-[(Z,4R,5S)-8-carboxy-5-hydroxy-1-[3-(3-phenoxypropoxy)phenyl]oct-2-en-4-yl]sulfanylbenzoic acid
Molecular weight550.666
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP6.0
SynonymsN/A
Inchi KeyBLAONBMRHHJTOG-CEUVJHGYSA-N
Inchi IDInChI=1S/C31H34O7S/c32-28(13-6-15-30(33)34)29(39-27-18-16-24(17-19-27)31(35)36)14-5-9-23-8-4-12-26(22-23)38-21-7-20-37-25-10-2-1-3-11-25/h1-5,8,10-12,14,16-19,22,28-29,32H,6-7,9,13,15,20-21H2,(H,33,34)(H,35,36)/b14-5-/t28-,29+/m0/s1
PubChem CID44285026
ChEMBLCHEMBL38052
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
pKB>5.0 -Bioorg. Med. Chem. Lett., (1993) 3:8:1517ChEMBL

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