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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

NameCHEMBL43912
Molecular formulaC29H25Cl2N3O2
IUPAC nameN-[(2R,4S)-2-benzyl-1-(3,5-dichlorobenzoyl)piperidin-4-yl]quinoline-4-carboxamide
Molecular weight518.438
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.5
SynonymsSCHEMBL8821413
IDKSGROGHXKFIS-BJKOFHAPSA-N
BDBM50287399
(2R*,4S*)-2-benzyl-1-(3 ,5-dichlorobenzoyl)-N-(4-quinolylcarbonyl)-4-piperidinamine
(2R*,4S*)-2-benzyl-1-(3,5-dichlorobenzoyl)-N-(4-quinolylcarbonyl)-4-piperidinamine
[ Show all ]
Inchi KeyIDKSGROGHXKFIS-BJKOFHAPSA-N
Inchi IDInChI=1S/C29H25Cl2N3O2/c30-21-15-20(16-22(31)17-21)29(36)34-13-11-23(18-24(34)14-19-6-2-1-3-7-19)33-28(35)26-10-12-32-27-9-5-4-8-25(26)27/h1-10,12,15-17,23-24H,11,13-14,18H2,(H,33,35)/t23-,24+/m0/s1
PubChem CID44288896
ChEMBLCHEMBL43912
IUPHARN/A
BindingDB50287399
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
IC504500.0 nM, Bioorg. Med. Chem. Lett., (1996) 6:14:1623BindingDB,ChEMBL

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