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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

NameCHEMBL295281
Molecular formulaC32H37NO3S2
IUPAC name2-[1-[[(1R)-1-[3-[(E)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight547.772
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.4
SynonymsBDBM50284890
(1-{(R)-1-{3-[(E)-2-(4-Cyclopropyl-thiazol-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
Inchi KeyFBFZTGWXXCGIHM-MGUPHCMFSA-N
Inchi IDInChI=1S/C32H37NO3S2/c1-31(2,36)26-9-4-3-7-23(26)13-14-28(38-21-32(16-17-32)19-30(34)35)25-8-5-6-22(18-25)10-15-29-33-27(20-37-29)24-11-12-24/h3-10,15,18,20,24,28,36H,11-14,16-17,19,21H2,1-2H3,(H,34,35)/b15-10+/t28-/m1/s1
PubChem CID44288430
ChEMBLCHEMBL295281
IUPHARN/A
BindingDB50284890
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
IC501.7 nM, Bioorg. Med. Chem. Lett., (1995) 5:15:1615BindingDB,ChEMBL
IC503.3 nM, Bioorg. Med. Chem. Lett., (1995) 5:15:1615BindingDB,ChEMBL

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