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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

Nameleukotriene C4
Molecular formulaC30H47N3O9S
IUPAC name(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Molecular weight625.778
Hydrogen bond acceptor11
Hydrogen bond donor7
XlogP0.7
Synonyms72025-60-6
Leukotriene C(sub 1)
NCGC00163398-01
(5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-[[(4~{s})-4-Azanyl-5-Oxidanyl-5-Oxidanylidene-Pentanoyl]amino]-3-(2-Hydroxy-2-Oxoethylamino)-3-Oxidanylidene-Propyl]sulfanyl-5-Oxidanyl-Icosa-7,9,11,14-Tetraenoic Acid
16063-EP2311833A1
[ Show all ]
Inchi KeyGWNVDXQDILPJIG-NXOLIXFESA-N
Inchi IDInChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
PubChem CID5280493
ChEMBLN/A
IUPHAR3354
BindingDBN/A
DrugBankDB08855

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
EC5020.0 - 43.0 nMPMID10462554, PMID10913337, PMID11093801IUPHAR
EC5021.0 nMPMID10391245IUPHAR
IC50346.0 - 360.0 nMPMID10391245IUPHAR
Ki7.94328 - 100.0 nMPMID9547367IUPHAR

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