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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

NameCHEMBL279630
Molecular formulaC34H36ClN2O4S-
IUPAC name2-[[1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-[2-(ethoxycarbonylamino)phenyl]propyl]sulfanylmethyl]butanoate
Molecular weight604.182
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP8.9
SynonymsSodium; 2-[1-{3-[2-(7-chloro-quinolin-2-yl)-ethyl]-phenyl}-3-(2-ethoxycarbonylamino-phenyl)-propylsulfanylmethyl]-butyrate
BDBM50280695
Inchi KeyDFENYAUXMPKISO-UHFFFAOYSA-M
Inchi IDInChI=1S/C34H37ClN2O4S/c1-3-24(33(38)39)22-42-32(19-15-25-9-5-6-11-30(25)37-34(40)41-4-2)27-10-7-8-23(20-27)12-17-29-18-14-26-13-16-28(35)21-31(26)36-29/h5-11,13-14,16,18,20-21,24,32H,3-4,12,15,17,19,22H2,1-2H3,(H,37,40)(H,38,39)/p-1
PubChem CID91934673
ChEMBLN/A
IUPHARN/A
BindingDB50280695
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
IC500.5 nMN/ABindingDB
IC500.6 nMN/ABindingDB

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