You can:
Name | Neuromedin-K receptor |
---|---|
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 | CHEMBL33650 |
---|---|
Molecular formula | C23H29N3O4 |
IUPAC name | tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate |
Molecular weight | 411.502 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.5 |
Synonyms | DTXSID60427532 33900-18-4 AKOS030607777 tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate L-Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl- [ Show all ] |
Inchi Key | LRRMIZSGLAPKAB-OALUTQOASA-N |
Inchi ID | InChI=1S/C23H29N3O4/c1-23(2,3)30-22(29)26-19(15-17-12-8-5-9-13-17)21(28)25-18(20(24)27)14-16-10-6-4-7-11-16/h4-13,18-19H,14-15H2,1-3H3,(H2,24,27)(H,25,28)(H,26,29)/t18-,19-/m0/s1 |
PubChem CID | 7033529 |
ChEMBL | CHEMBL33650 |
IUPHAR | N/A |
BindingDB | 50050675 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1500.0 nM | , Bioorg. Med. Chem. Lett., (1995) 5:16:1773 | BindingDB,ChEMBL |
IC50 | 1550.0 nM | Bioorg. Med. Chem. Lett., (1994) 4:14:1679, , PMID8648606 | BindingDB,ChEMBL |
IC50 | 1600.0 nM | , Bioorg. Med. Chem. Lett., (1994) 4:24:2825, Bioorg. Med. Chem. Lett., (1995) 5:14:1445 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218