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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

NameCHEMBL15306
Molecular formulaC32H33ClNO4S-
IUPAC name(2S)-3-[(1R)-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-2-methylpropanoate
Molecular weight563.129
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.5
SynonymsSodium; (S)-3-{(R)-1-[3-(7-chloro-quinolin-2-ylmethoxy)-phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanyl}-2-methyl-propionate
BDBM50280705
Inchi KeyDHBXJMYACXFGDK-IIMAJNMQSA-M
Inchi IDInChI=1S/C32H34ClNO4S/c1-21(31(35)36)20-39-30(16-13-22-7-4-5-10-28(22)32(2,3)37)24-8-6-9-27(17-24)38-19-26-15-12-23-11-14-25(33)18-29(23)34-26/h4-12,14-15,17-18,21,30,37H,13,16,19-20H2,1-3H3,(H,35,36)/p-1/t21-,30-/m1/s1
PubChem CID91934680
ChEMBLN/A
IUPHARN/A
BindingDB50280705
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
IC502.0 nMN/ABindingDB
IC504.0 nMN/ABindingDB

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