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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

NameCHEMBL40836
Molecular formulaC36H39NO4S2
IUPAC name2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight613.831
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP7.5
SynonymsBDBM50284889
{1-[(R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-(3-{(E)-2-[4-(4-methoxy-phenyl)-thiazol-2-yl]-vinyl}-phenyl)-propylsulfanylmethyl]-cyclopropyl}-acetic acid
Inchi KeyABUORUUTGDPPSU-CFGRSBKHSA-N
Inchi IDInChI=1S/C36H39NO4S2/c1-35(2,40)30-10-5-4-8-26(30)14-17-32(43-24-36(19-20-36)22-34(38)39)28-9-6-7-25(21-28)11-18-33-37-31(23-42-33)27-12-15-29(41-3)16-13-27/h4-13,15-16,18,21,23,32,40H,14,17,19-20,22,24H2,1-3H3,(H,38,39)/b18-11+/t32-/m1/s1
PubChem CID44288613
ChEMBLCHEMBL40836
IUPHARN/A
BindingDB50284889
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
IC5098.7 nMBioorg. Med. Chem. Lett., (1995) 5:15:1615ChEMBL
IC5099.0 nMN/ABindingDB
IC50138.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:15:1615BindingDB,ChEMBL

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