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GPCR

NameSubstance-K receptor
SpeciesCavia porcellus (Guinea pig)
GeneTACR2
SynonymNeurokinin A receptor
NK-2 receptor
NK-2R
SKR
Tachykinin receptor 2
DiseaseN/A for non-human GPCRs
Length402
Amino acid sequenceMGACVIVTNTNISSGLESNTTGITAFSMPTWQLALWATAYLALVLVAVTGNATVTWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAIDRYMAIVHPFQPRLSAPSTKAVIGGIWLVALALAFPQCFYSTITEDEGATKCVVAWPEDSRDKSLLLYHLVVIVLIYLLPLTVMFVAYSIIGLTLWRRAVPRHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNRRFRSGFRLAFRCCPWVTPTEEDKLELTHTPSFSLRVNRCHTKEILFMAGDTVPSEATNGQAGGPQDRESVELSSLPGCRAGPSILAKASS
UniProtQ64077
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2647
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL58331
Molecular formulaC27H35Cl2N3O2
IUPAC nameN-[4-[4-(2-acetamidoethyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
Molecular weight504.496
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50071116
N-[4-[4-(2-Acetylamino-ethyl)-piperidin-1-yl]-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide
Inchi KeyGBOCBIASBIMNAJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H35Cl2N3O2/c1-20(33)30-14-10-21-11-15-32(16-12-21)17-13-24(23-8-9-25(28)26(29)18-23)19-31(2)27(34)22-6-4-3-5-7-22/h3-9,18,21,24H,10-17,19H2,1-2H3,(H,30,33)
PubChem CID22405753
ChEMBLCHEMBL58331
IUPHARN/A
BindingDB50071116
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
pKB7.9 -PMID9873462ChEMBL

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