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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

NameCHEMBL408242
Molecular formulaC36H37Cl2N3O2S
IUPAC name3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N,4-dimethylnaphthalene-1-carboxamide
Molecular weight646.671
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP7.5
SynonymsN/A
Inchi KeyABEPYVCMQFJYQF-WWUDGXSDSA-N
Inchi IDInChI=1S/C36H37Cl2N3O2S/c1-24-28(22-39)20-32(31-10-5-4-8-29(24)31)36(42)40(2)23-27(26-12-13-33(37)34(38)21-26)16-19-41-17-14-25(15-18-41)30-9-6-7-11-35(30)44(3)43/h4-13,20-21,25,27H,14-19,23H2,1-3H3/t27-,44+/m1/s1
PubChem CID10985122
ChEMBLCHEMBL408242
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
pKB7.8 -PMID12190319ChEMBL

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