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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

NameCHEMBL96794
Molecular formulaC35H35Cl2F3N2O2S
IUPAC nameN-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methyl-3-(trifluoromethyl)naphthalene-1-carboxamide
Molecular weight675.632
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP8.3
SynonymsN-Methyl-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-(methylsulfinyl)phenyl]piperidino]butyl]-3-(trifluoromethyl)naphthalene-1-carboxamide
Inchi KeyBNRSRJKHXKYDQR-OENHYZHVSA-N
Inchi IDInChI=1S/C35H35Cl2F3N2O2S/c1-41(34(43)30-21-27(35(38,39)40)19-25-7-3-4-8-28(25)30)22-26(24-11-12-31(36)32(37)20-24)15-18-42-16-13-23(14-17-42)29-9-5-6-10-33(29)45(2)44/h3-12,19-21,23,26H,13-18,22H2,1-2H3/t26-,45?/m1/s1
PubChem CID44325922
ChEMBLCHEMBL96794
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
pKB6.45 -PMID11591520ChEMBL

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