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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

NameCHEMBL68060
Molecular formulaC30H36Cl4N4O3
IUPAC name3,5-dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentyl]-N-methylbenzamide
Molecular weight642.443
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.7
SynonymsBDBM50116075
sch-205528
3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyimino-5-(2-oxo-[1,4'']bipiperidinyl-1''-yl)-pentyl]-N-ethyl-benzamide
SCHEMBL16353914
Inchi KeyCXFWIZDXIZCABO-NSVMSHEGSA-N
Inchi IDInChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+/t25-/m1/s1
PubChem CID9874206
ChEMBLCHEMBL68060
IUPHARN/A
BindingDB50116075
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
Kd19.95 nMPMID12127519ChEMBL
Ki0.8 nMPMID12127519ChEMBL
Ki0.8 nMPMID12127519BindingDB
Ki1.0 nMPMID12127519BindingDB,ChEMBL

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