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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

NameCHEMBL342758
Molecular formulaC41H39Cl2N3O2S
IUPAC name3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methyl-2-phenylnaphthalene-1-carboxamide
Molecular weight708.742
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP8.7
SynonymsN/A
Inchi KeyJGLJNFCHLBYJNG-ZSFUNLSLSA-N
Inchi IDInChI=1S/C41H39Cl2N3O2S/c1-45(41(47)40-35-14-7-6-12-31(35)24-33(26-44)39(40)29-10-4-3-5-11-29)27-32(30-16-17-36(42)37(43)25-30)20-23-46-21-18-28(19-22-46)34-13-8-9-15-38(34)49(2)48/h3-17,24-25,28,32H,18-23,27H2,1-2H3/t32-,49+/m1/s1
PubChem CID11399838
ChEMBLCHEMBL342758
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
pKB7.27 -PMID14736234ChEMBL

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