Reaction Details |
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Target | Substance-K receptor |
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Ligand | BDBM50524649 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1894256 (CHEMBL4396177) |
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Ki | 1600±n/a nM |
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Citation | Negi, A; Reilly, CO; Jarikote, DV; Zhou, J; Murphy, PV Multi-targeting protein-protein interaction inhibitors: Evolution of macrocyclic ligands with embedded carbohydrates (MECs) to improve selectivity. Eur J Med Chem176:292-309 (2019) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Substance-K receptor |
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Name: | Substance-K receptor |
Synonyms: | NK-2 receptor | NK-2R | NK2R | NK2R_HUMAN | NKNAR | Neurokinin 2 receptor | Neurokinin A receptor | Neurokinin NK2 | Neurokinin-2 (NK-2) | Neuromedin-2 receptor (NK-2R) | SKR | TAC2R | TACR2 | Tachykinin receptor 2 | Tachykinin receptor 2 (NK2) | hnk-3 |
Type: | Protein |
Mol. Mass.: | 44455.78 |
Organism: | Homo sapiens (Human) |
Description: | P21452 |
Residue: | 398 |
Sequence: | MGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILA
HRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVS
IYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATK
CVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLR
HLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSST
MYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMA
GDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI
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BDBM50524649 |
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n/a |
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Name | BDBM50524649 |
Synonyms: | CHEMBL4562303 |
Type | Small organic molecule |
Emp. Form. | C47H70N4O9 |
Mol. Mass. | 835.0801 |
SMILES | [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r| |
Structure |
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