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Name | Substance-K receptor |
---|---|
Species | Bos taurus (Bovine) |
Gene | TACR2 |
Synonym | Neurokinin A receptor NK-2 receptor NK-2R SKR Tachykinin receptor 2 |
Disease | N/A for non-human GPCRs |
Length | 384 |
Amino acid sequence | MGACVVMTDINISSGLDSNATGITAFSMPGWQLALWTAAYLALVLVAVMGNATVIWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPGTRAVIAGIWLVALALAFPQCFYSTITTDEGATKCVVAWPEDSGGKMLLLYHLIVIALIYFLPLVVMFVAYSVIGLTLWRRSVPGHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGTFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDKMELTYTPSLSTRVNRCHTKEIFFMSGDVAPSEAVNGQAESPQAGVSTEP |
UniProt | P05363 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4815 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL295425 |
---|---|
Molecular formula | C31H25F6N3O3 |
IUPAC name | N-[(2R,4S)-2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide |
Molecular weight | 601.549 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 5.8 |
Synonyms | 2-Hydroxy-quinoline-4-carboxylic acid [(2R,4S)-2-benzyl-1-(3,5-bis-trifluoromethyl-benzoyl)-piperidin-4-yl]-amide BDBM50287416 |
Inchi Key | XUVYYIIVCVDGFW-XZOQPEGZSA-N |
Inchi ID | InChI=1S/C31H25F6N3O3/c32-30(33,34)20-13-19(14-21(15-20)31(35,36)37)29(43)40-11-10-22(16-23(40)12-18-6-2-1-3-7-18)38-28(42)25-17-27(41)39-26-9-5-4-8-24(25)26/h1-9,13-15,17,22-23H,10-12,16H2,(H,38,42)(H,39,41)/t22-,23+/m0/s1 |
PubChem CID | 44289197 |
ChEMBL | CHEMBL295425 |
IUPHAR | N/A |
BindingDB | 50287416 |
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 |
---|---|---|---|
Inhibition | 28.0 % | Bioorg. Med. Chem. Lett., (1996) 6:14:1623 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417