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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

NameCHEMBL43509
Molecular formulaC33H34FNO3S2
IUPAC name2-[1-[[(1R)-1-[3-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight575.757
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP7.4
SynonymsBDBM50284901
L-708734
(1-{(R)-1-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
Inchi KeyDIGAXEWBQSDRKZ-MGUPHCMFSA-N
Inchi IDInChI=1S/C33H34FNO3S2/c1-32(2,38)26-9-4-3-7-23(26)11-13-28(39-21-33(16-17-33)20-31(36)37)24-8-5-6-22(18-24)10-15-30-35-27-19-25(34)12-14-29(27)40-30/h3-10,12,14-15,18-19,28,38H,11,13,16-17,20-21H2,1-2H3,(H,36,37)/b15-10+/t28-/m1/s1
PubChem CID9959856
ChEMBLCHEMBL43509
IUPHARN/A
BindingDB50284901
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
IC503.3 nM, Bioorg. Med. Chem. Lett., (1995) 5:15:1615BindingDB,ChEMBL

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