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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

NameCHEMBL132347
Molecular formulaC35H34Cl2FN3O2S
IUPAC name3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-fluoro-6-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide
Molecular weight650.634
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP7.2
SynonymsN/A
Inchi KeyCYODUILFLGQJTM-OCADTDOJSA-N
Inchi IDInChI=1S/C35H34Cl2FN3O2S/c1-40(35(42)29-19-23(21-39)18-26-6-3-4-7-28(26)29)22-27(25-10-11-30(36)31(37)20-25)14-17-41-15-12-24(13-16-41)34-32(38)8-5-9-33(34)44(2)43/h3-11,18-20,24,27H,12-17,22H2,1-2H3/t27-,44?/m1/s1
PubChem CID10886820
ChEMBLCHEMBL132347
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
pKB6.83 -PMID12190319ChEMBL

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