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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

NameCHEMBL348229
Molecular formulaC37H45NO3S
IUPAC name2-[1-[[(1R)-1-[3-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-quinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight583.831
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.9
SynonymsBDBM50069371
(1-{(R)-1-{3-[(E)-2-(8,8-Dimethyl-5,6,7,8-tetrahydro-quinolin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
Inchi KeyIBDAOFPNZMUFAK-CGNAPUSOSA-N
Inchi IDInChI=1S/C37H45NO3S/c1-35(2)20-8-12-28-15-18-30(38-34(28)35)17-14-26-9-7-11-29(23-26)32(42-25-37(21-22-37)24-33(39)40)19-16-27-10-5-6-13-31(27)36(3,4)41/h5-7,9-11,13-15,17-18,23,32,41H,8,12,16,19-22,24-25H2,1-4H3,(H,39,40)/b17-14+/t32-/m1/s1
PubChem CID44360844
ChEMBLCHEMBL348229
IUPHARN/A
BindingDB50069371
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
IC505.0 nMPMID9871597BindingDB,ChEMBL

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