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GPCR

NameSubstance-K receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneTACR2
SynonymNeurokinin A receptor
NK-2 receptor
NK-2R
SKR
Tachykinin receptor 2
DiseaseN/A for non-human GPCRs
Length384
Amino acid sequenceMGACDIVTEANISSDIDSNATGVTAFSMPGWQLALWATAYLALVLVAVVGNATVIWIILAHRRMRTVTNYFIVNLALADLCMATFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSGPGTKAVIAGIWLVALALAFPQCFYSTITMDQGATKCVVAWPEDSGGKMLLLYHLTVIALIYFLPLVVMFVAYSVIGFKLWRRTVPGHQTHGANLRHLRAKKKFVKTMVLVVVTFAVCWLPYHLYFLLGHFQDDIYCRKFIQQVYLVLFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDKLELTHTPSLSVRVNRCHTKETLFLVGDVAPSEAANGQAGGPQDGGAYDF
UniProtP79218
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3433
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL322879
Molecular formulaC37H41Cl2N3O3S
IUPAC name1-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-1-N,3-N,3-N-trimethylnaphthalene-1,3-dicarboxamide
Molecular weight678.713
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.9
SynonymsN,N',N'-Trimethyl-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-(methylsulfinyl)phenyl]piperidino]butyl]naphthalene-1,3-biscarboxamide
Inchi KeyKQIVABWZJYITON-WDGVMLFESA-N
Inchi IDInChI=1S/C37H41Cl2N3O3S/c1-40(2)36(43)29-21-27-9-5-6-10-30(27)32(22-29)37(44)41(3)24-28(26-13-14-33(38)34(39)23-26)17-20-42-18-15-25(16-19-42)31-11-7-8-12-35(31)46(4)45/h5-14,21-23,25,28H,15-20,24H2,1-4H3/t28-,46?/m1/s1
PubChem CID44326713
ChEMBLCHEMBL322879
IUPHARN/A
BindingDBN/A
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
pKB7.31 -PMID11591520ChEMBL

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