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GPCR

NameSubstance-K receptor
SpeciesBos taurus (Bovine)
GeneTACR2
SynonymNeurokinin A receptor
NK-2 receptor
NK-2R
SKR
Tachykinin receptor 2
DiseaseN/A for non-human GPCRs
Length384
Amino acid sequenceMGACVVMTDINISSGLDSNATGITAFSMPGWQLALWTAAYLALVLVAVMGNATVIWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPGTRAVIAGIWLVALALAFPQCFYSTITTDEGATKCVVAWPEDSGGKMLLLYHLIVIALIYFLPLVVMFVAYSVIGLTLWRRSVPGHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGTFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDKMELTYTPSLSTRVNRCHTKEIFFMSGDVAPSEAVNGQAESPQAGVSTEP
UniProtP05363
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4815
IUPHARN/A
DrugBankN/A

Ligand

NameAbt-418
Molecular formulaC9H14N2O
IUPAC name3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole
Molecular weight166.224
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP1.2
SynonymsAbt 418
147402-53-7
3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole
CHEMBL274525
(S)-3-Methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole
[ Show all ]
Inchi KeyILLGYRJAYAAAEW-QMMMGPOBSA-N
Inchi IDInChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
PubChem CID119380
ChEMBLN/A
IUPHARN/A
BindingDB50035398
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID7518514BindingDB

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