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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 | NEUROKININ A |
---|---|
Molecular formula | C50H80N14O14S |
IUPAC name | (3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(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]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid |
Molecular weight | 1133.33 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 16 |
XlogP | -4.8 |
Synonyms | 94168F9W1D GTPL2089 Neurokinin A (pig spinal cord) Neuromedin L (pig spinal cord) Substance K [ Show all ] |
Inchi Key | HEAUFJZALFKPBA-JPQUDPSNSA-N |
Inchi ID | InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1 |
PubChem CID | 5311311 |
ChEMBL | CHEMBL217406 |
IUPHAR | 2089 |
BindingDB | 50001447 |
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 | 1.698 nM | PMID10425111 | ChEMBL |
IC50 | 1.7 nM | PMID10425111 | BindingDB |
IC50 | 7.7 nM | , Bioorg. Med. Chem. Lett., (1997) 7:6:715 | BindingDB,ChEMBL |
KD/Ki | 0.5 nM | PMID12139452 | ChEMBL |
KD/Ki | 1.9 nM | PMID12139452 | ChEMBL |
KD/Ki | 2.0 nM | PMID12139452 | ChEMBL |
KD/Ki | 2.1 nM | PMID12139452 | ChEMBL |
KD/Ki | 2.3 nM | PMID12139452 | ChEMBL |
KD/Ki | 2.4 nM | PMID12139452 | ChEMBL |
KD/Ki | 2.5 nM | PMID12139452 | ChEMBL |
KD/Ki | 2.8 nM | PMID12139452 | ChEMBL |
KD/Ki | 3.2 nM | PMID12139452 | ChEMBL |
KD/Ki | 5.3 nM | PMID12139452 | ChEMBL |
KD/Ki | 5.9 nM | PMID12139452 | ChEMBL |
KD/Ki | 6.6 nM | PMID12139452 | ChEMBL |
KD/Ki | 10.7 nM | PMID12139452 | ChEMBL |
KD/Ki | 40.0 nM | PMID12139452 | ChEMBL |
Ki | 0.71 nM | PMID10425111 | BindingDB,ChEMBL |
Ki | 0.794328 - 10.0 nM | PMID11786503, PMID9190866, PMID7682062, PMID11137709 | IUPHAR |
Ki | 1.2 nM | PMID24983484 | BindingDB |
Ki | 1.202 nM | PMID24983484 | ChEMBL |
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