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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

NameCHEMBL71397
Molecular formulaC29H32Cl2N2O2
IUPAC nameN-[2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-N-methylbenzamide
Molecular weight511.487
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.9
SynonymsN-[2-(3,4-Dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidino)butyl]-N-methylbenzamide
SCHEMBL8870973
KBIKENJDJYPBNS-UHFFFAOYSA-N
BDBM50129513
N-[2-(3,4-Dichloro-phenyl)-4-(4-hydroxy-4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
Inchi KeyKBIKENJDJYPBNS-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32Cl2N2O2/c1-32(28(34)22-8-4-2-5-9-22)21-24(23-12-13-26(30)27(31)20-23)14-17-33-18-15-29(35,16-19-33)25-10-6-3-7-11-25/h2-13,20,24,35H,14-19,21H2,1H3
PubChem CID18964186
ChEMBLCHEMBL71397
IUPHARN/A
BindingDB50129513
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
Ki1.0 nMPMID15324907BindingDB,ChEMBL

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