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Name | Neuromedin-K receptor |
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Species | Homo sapiens (Human) |
Gene | TACR3 |
Synonym | SP-N receptor Tac3r Nmkr NKR NK3 receptor [ Show all ] |
Disease | Schizophrenia Schizophrenia; Schizoaffective disorders Psychotic disorders Psychiatric disorder Irritable bowel syndrome [ Show all ] |
Length | 465 |
Amino acid sequence | MATLPAAETWIDGGGGVGADAVNLTASLAAGAATGAVETGWLQLLDQAGNLSSSPSALGLPVASPAPSQPWANLTNQFVQPSWRIALWSLAYGVVVAVAVLGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASMAAFNTLVNFIYALHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKTKVMPGRTLCFVQWPEGPKQHFTYHIIVIILVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVMTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIKVSSYDELELKTTRFHPNRQSSMYTVTRMESMTVVFDPNDADTTRSSRKKRATPRDPSFNGCSRRNSKSASATSSFISSPYTSVDEYS |
UniProt | P29371 |
Protein Data Bank | N/A |
GPCR-HGmod model | P29371 |
3D structure model | This predicted structure model is from GPCR-EXP P29371. |
BioLiP | N/A |
Therapeutic Target Database | T29683 |
ChEMBL | CHEMBL4429 |
IUPHAR | 362 |
DrugBank | BE0002371 |
Name | CHEMBL297327 |
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Molecular formula | C32H47N3O5 |
IUPAC name | tert-butyl N-[(2S)-1-[[(2R)-1-(8-hydroxyoctylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate |
Molecular weight | 553.744 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 5.6 |
Synonyms | {(S)-1-[(R)-1-(8-Hydroxy-octylcarbamoyl)-2-phenyl-ethylcarbamoyl]-1-methyl-2-phenyl-ethyl}-carbamic acid tert-butyl ester BDBM50282782 |
Inchi Key | ZYOSMLUSASXSFL-ZUKKLESISA-N |
Inchi ID | InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)35-32(4,24-26-19-13-10-14-20-26)29(38)34-27(23-25-17-11-9-12-18-25)28(37)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,37)(H,34,38)(H,35,39)/t27-,32+/m1/s1 |
PubChem CID | 44291788 |
ChEMBL | CHEMBL297327 |
IUPHAR | N/A |
BindingDB | 50282782 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 40.0 nM | , Bioorg. Med. Chem. Lett., (1994) 4:14:1679 | BindingDB,ChEMBL |
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