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Name | Substance-K receptor |
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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 | CHEMBL106300 |
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Molecular formula | C34H39Cl2N5O3 |
IUPAC name | (2S)-2-amino-1-[4-[[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]-2-phenylethanone |
Molecular weight | 636.618 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.6 |
Synonyms | (2R)-1-(1-L-Phenylglycylpiperidine-4-ylaminoacetyl)-2alpha-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazine BDBM50120173 (S)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4-(3,5-dimethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethylamino}-piperidin-1-yl)-2-phenyl-ethanone |
Inchi Key | AKWFEANKAWGNIH-CDZUIXILSA-N |
Inchi ID | InChI=1S/C34H39Cl2N5O3/c1-22-16-23(2)18-26(17-22)33(43)40-14-15-41(30(21-40)25-8-9-28(35)29(36)19-25)31(42)20-38-27-10-12-39(13-11-27)34(44)32(37)24-6-4-3-5-7-24/h3-9,16-19,27,30,32,38H,10-15,20-21,37H2,1-2H3/t30-,32-/m0/s1 |
PubChem CID | 44337208 |
ChEMBL | CHEMBL106300 |
IUPHAR | N/A |
BindingDB | 50120173 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 1.1 nM | PMID12372524 | BindingDB,ChEMBL |
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