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Name | Substance-K receptor |
---|---|
Species | Homo sapiens (Human) |
Gene | TACR2 |
Synonym | NK2 receptor Neurokinin A receptor Tachykinin receptor 2 TAC2R Substance K receptor [ Show all ] |
Disease | Urinary incontinence Pain Unspecified Irritable bowel syndrome with diarrhoea Irritable bowel syndrome [ Show all ] |
Length | 398 |
Amino acid sequence | MGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILAHRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATKCVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLRHLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMAGDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI |
UniProt | P21452 |
Protein Data Bank | N/A |
GPCR-HGmod model | P21452 |
3D structure model | This predicted structure model is from GPCR-EXP P21452. |
BioLiP | N/A |
Therapeutic Target Database | T52790 |
ChEMBL | CHEMBL2327 |
IUPHAR | 361 |
DrugBank | BE0002222 |
Name | CHEMBL3734811 |
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Molecular formula | C39H53N7O11S |
IUPAC name | (4S)-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-(oxaloamino)-5-oxopentanoic acid |
Molecular weight | 827.951 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 8 |
XlogP | 2.0 |
Synonyms | N/A |
Inchi Key | GRMREWPIXQSXKU-IIZANFQQSA-N |
Inchi ID | InChI=1S/C39H53N7O11S/c1-23(2)19-28(35(52)43-26(33(40)50)17-18-58-4)42-31(47)22-41-36(53)30(21-25-13-9-6-10-14-25)46(3)38(55)29(20-24-11-7-5-8-12-24)45-34(51)27(15-16-32(48)49)44-37(54)39(56)57/h5-14,23,26-30H,15-22H2,1-4H3,(H2,40,50)(H,41,53)(H,42,47)(H,43,52)(H,44,54)(H,45,51)(H,48,49)(H,56,57)/t26-,27-,28-,29-,30-/m0/s1 |
PubChem CID | 127034749 |
ChEMBL | CHEMBL3734811 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <10000.0 nM | MedChemComm, (2015) 6:3:469 | ChEMBL |
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