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GPCR

NameNeuromedin-K receptor
SpeciesHomo sapiens (Human)
GeneTACR3
SynonymSP-N receptor
Tac3r
Nmkr
NKR
NK3 receptor
[ Show all ]
DiseaseSchizophrenia
Schizophrenia; Schizoaffective disorders
Psychotic disorders
Psychiatric disorder
Irritable bowel syndrome
[ Show all ]
Length465
Amino acid sequenceMATLPAAETWIDGGGGVGADAVNLTASLAAGAATGAVETGWLQLLDQAGNLSSSPSALGLPVASPAPSQPWANLTNQFVQPSWRIALWSLAYGVVVAVAVLGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASMAAFNTLVNFIYALHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKTKVMPGRTLCFVQWPEGPKQHFTYHIIVIILVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVMTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIKVSSYDELELKTTRFHPNRQSSMYTVTRMESMTVVFDPNDADTTRSSRKKRATPRDPSFNGCSRRNSKSASATSSFISSPYTSVDEYS
UniProtP29371
Protein Data BankN/A
GPCR-HGmod modelP29371
3D structure modelThis predicted structure model is from GPCR-EXP P29371.
BioLiPN/A
Therapeutic Target DatabaseT29683
ChEMBLCHEMBL4429
IUPHAR362
DrugBankBE0002371

Ligand

NameSCHEMBL1973042
Molecular formulaC27H31Cl3N4O3
IUPAC name1-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-3-(4-chlorophenyl)-1-methylurea
Molecular weight565.92
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.4
SynonymsCHEMBL3651888
BDBM106975
US8592454, 61
Inchi KeyAXYVSTYNMWOVHD-WIOPSUGQSA-N
Inchi IDInChI=1S/C27H31Cl3N4O3/c1-17(35)33-12-9-18(10-13-33)26(36)34-14-11-25(22(16-34)19-3-8-23(29)24(30)15-19)32(2)27(37)31-21-6-4-20(28)5-7-21/h3-8,15,18,22,25H,9-14,16H2,1-2H3,(H,31,37)/t22-,25+/m0/s1
PubChem CID67233125
ChEMBLCHEMBL3651888
IUPHARN/A
BindingDB106975
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5099.0 nM, NoneBindingDB,ChEMBL

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