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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

NameCHEMBL43821
Molecular formulaC35H36ClNO3S2
IUPAC name2-[1-[[(1R)-1-[3-[(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight618.247
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP8.1
Synonyms(1-{(R)-1-(3-{(E)-2-[4-(4-Chloro-phenyl)-thiazol-2-yl]-vinyl}-phenyl)-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
BDBM50284891
Inchi KeyAHQZELTWZVBLCX-ZBJMMJAPSA-N
Inchi IDInChI=1S/C35H36ClNO3S2/c1-34(2,40)29-9-4-3-7-25(29)13-16-31(42-23-35(18-19-35)21-33(38)39)27-8-5-6-24(20-27)10-17-32-37-30(22-41-32)26-11-14-28(36)15-12-26/h3-12,14-15,17,20,22,31,40H,13,16,18-19,21,23H2,1-2H3,(H,38,39)/b17-10+/t31-/m1/s1
PubChem CID44288319
ChEMBLCHEMBL43821
IUPHARN/A
BindingDB50284891
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
IC5079.0 nMN/ABindingDB
IC5079.3 nMBioorg. Med. Chem. Lett., (1995) 5:15:1615ChEMBL
IC5099.7 nMBioorg. Med. Chem. Lett., (1995) 5:15:1615ChEMBL
IC50100.0 nMN/ABindingDB

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