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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

NameCHEMBL86264
Molecular formulaC33H35NO3S2
IUPAC name2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-thieno[3,2-b]pyridin-5-ylethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight557.767
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.9
SynonymsBDBM50285684
(1-{(R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-[3-((E)-2-thieno[3,2-b]pyridin-5-yl-vinyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
Inchi KeyALCIWBPDUXMXBZ-KSGUIJNZSA-N
Inchi IDInChI=1S/C33H35NO3S2/c1-32(2,37)27-9-4-3-7-24(27)11-14-29(39-22-33(17-18-33)21-31(35)36)25-8-5-6-23(20-25)10-12-26-13-15-30-28(34-26)16-19-38-30/h3-10,12-13,15-16,19-20,29,37H,11,14,17-18,21-22H2,1-2H3,(H,35,36)/b12-10+/t29-/m1/s1
PubChem CID15290701
ChEMBLCHEMBL86264
IUPHARN/A
BindingDB50285684
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
IC508.49 nM, Bioorg. Med. Chem. Lett., (1995) 5:21:2551BindingDB,ChEMBL

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