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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

NameCHEMBL318364
Molecular formulaC36H36Cl2N2O2S
IUPAC nameN-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-3-ethynyl-N-methylnaphthalene-1-carboxamide
Molecular weight631.656
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP7.6
SynonymsN-Methyl-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-(methylsulfinyl)phenyl]piperidino]butyl]-3-ethynylnaphthalene-1-carboxamide
Inchi KeyMLIPSOYNUBZZGG-CSOJFCJSSA-N
Inchi IDInChI=1S/C36H36Cl2N2O2S/c1-4-25-21-28-9-5-6-10-30(28)32(22-25)36(41)39(2)24-29(27-13-14-33(37)34(38)23-27)17-20-40-18-15-26(16-19-40)31-11-7-8-12-35(31)43(3)42/h1,5-14,21-23,26,29H,15-20,24H2,2-3H3/t29-,43?/m1/s1
PubChem CID44326712
ChEMBLCHEMBL318364
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
pKB7.44 -PMID11591520ChEMBL

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