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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

NameCHEMBL436388
Molecular formulaC36H36Cl2N4O3S
IUPAC nameN-[(2S)-4-[4-(4-carbamoyl-2-methylsulfinylphenyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-3-cyano-N-methylnaphthalene-1-carboxamide
Molecular weight675.669
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.0
SynonymsN/A
Inchi KeyJOXDVJMTPDTKHL-WDGVMLFESA-N
Inchi IDInChI=1S/C36H36Cl2N4O3S/c1-41(36(44)31-18-23(21-39)17-26-5-3-4-6-29(26)31)22-28(25-8-10-32(37)33(38)19-25)13-16-42-14-11-24(12-15-42)30-9-7-27(35(40)43)20-34(30)46(2)45/h3-10,17-20,24,28H,11-16,22H2,1-2H3,(H2,40,43)/t28-,46?/m1/s1
PubChem CID11104358
ChEMBLCHEMBL436388
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
pKB6.92 -PMID12190319ChEMBL

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