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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

NameCHEMBL295122
Molecular formulaC31H33N3O
IUPAC name[(2R,4S)-2-benzyl-4-(quinolin-3-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
Molecular weight463.625
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.0
SynonymsSCHEMBL8821464
BDBM50287395
{(2R,4S)-2-Benzyl-4-[(quinolin-3-ylmethyl)-amino]-piperidin-1-yl}-(3,5-dimethyl-phenyl)-methanone
Inchi KeyUISKGTZVONGFBF-URLMMPGGSA-N
Inchi IDInChI=1S/C31H33N3O/c1-22-14-23(2)16-27(15-22)31(35)34-13-12-28(19-29(34)18-24-8-4-3-5-9-24)32-20-25-17-26-10-6-7-11-30(26)33-21-25/h3-11,14-17,21,28-29,32H,12-13,18-20H2,1-2H3/t28-,29+/m0/s1
PubChem CID44288758
ChEMBLCHEMBL295122
IUPHARN/A
BindingDB50287395
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition22.0 %Bioorg. Med. Chem. Lett., (1996) 6:14:1623ChEMBL

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