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GPCR

NameCysteinyl leukotriene receptor 1
SpeciesHomo sapiens (Human)
GeneCYSLTR1
SynonymLTD4 receptor
LTD4
leukotriene D4 receptor
HMTMF81
HG55
[ Show all ]
DiseaseN/A
Length337
Amino acid sequenceMDETGNLTVSSATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIKTYHKKSAFQVYMINLAVADLLCVCTLPLRVVYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCIAIVFPVQNINLVTQKKARFVCVGIWIFVILTSSPFLMAKPQKDEKNNTKCFEPPQDNQTKNHVLVLHYVSLFVGFIIPFVIIIVCYTMIILTLLKKSMKKNLSSHKKAIGMIMVVTAAFLVSFMPYHIQRTIHLHFLHNETKPCDSVLRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRKRLSTFRKHSLSSVTYVPRKKASLPEKGEEICKV
UniProtQ9Y271
Protein Data BankN/A
GPCR-HGmod modelQ9Y271
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y271.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1798
IUPHAR269
DrugBankBE0000705

Ligand

NameCHEMBL1214415
Molecular formulaC24H18N6O3
IUPAC name(E)-3-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-1-[2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]prop-2-en-1-one
Molecular weight438.447
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.2
SynonymsBDBM50323896
3-(4-((1H-benzo[d]imidazol-2-yl)methoxy)phenyl)-1-(2-hydroxy-5-(1H-tetrazol-5-yl)phenyl)prop-2-en-1-one
Inchi KeyDCODKKUTGXHLGW-YRNVUSSQSA-N
Inchi IDInChI=1S/C24H18N6O3/c31-21(18-13-16(8-12-22(18)32)24-27-29-30-28-24)11-7-15-5-9-17(10-6-15)33-14-23-25-19-3-1-2-4-20(19)26-23/h1-13,32H,14H2,(H,25,26)(H,27,28,29,30)/b11-7+
PubChem CID136127005
ChEMBLCHEMBL1214415
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50527.0 nMPMID20621485ChEMBL

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