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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

NameCHEMBL1084765
Molecular formulaC36H48N4O4
IUPAC nameN-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
Molecular weight600.804
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50415962
Inchi KeyFOXUTIZHAYSOSZ-HKBQPEDESA-N
Inchi IDInChI=1S/C36H48N4O4/c41-34(33-26-30-11-4-5-13-32(30)44-33)38-36(16-6-7-17-36)35(42)37-31(25-28-9-2-1-3-10-28)12-8-18-39-19-21-40(22-20-39)27-29-14-23-43-24-15-29/h1-5,9-11,13,26,29,31H,6-8,12,14-25,27H2,(H,37,42)(H,38,41)/t31-/m0/s1
PubChem CID46238091
ChEMBLCHEMBL1084765
IUPHARN/A
BindingDB50415962
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
pKb8.2 -PMID20408549ChEMBL

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