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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tryptase beta-2/delta/gamma | ||
| Ligand | BDBM50093164 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_210830 (CHEMBL811859) | ||
| Ki | 3±n/a nM | ||
| Citation |  Rice, KD; Wang, VR; Gangloff, AR; Kuo, EY; Dener, JM; Newcomb, WS; Young, WB; Putnam, D; Cregar, L; Wong, M; Simpson, PJ Dibasic inhibitors of human mast cell tryptase. Part 2: structure-activity relationships and requirements for potent activity. Bioorg Med Chem Lett10:2361-6 (2001) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Tryptase beta-2/delta/gamma | |||
| Name: | Tryptase beta-2/delta/gamma | ||
| Synonyms: | Tryptase | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of ChEMBL is 1510505 | ||
| Components: | This complex has 3 components. | ||
| Component 1 | |||
| Name: | Tryptase gamma | ||
| Synonyms: | PRSS31 | Serine protease 31 | TMT | TPSG1 | TRYG1_HUMAN | Transmembrane tryptase | Tryptase | Tryptase gamma | Tryptase gamma heavy chain | Tryptase gamma light chain | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 33817.52 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_210833 | ||
| Residue: | 321 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Tryptase beta-2 | ||
| Synonyms: | TPS2 | TPSB2 | TRYB2_HUMAN | Tryptase | Tryptase II | Tryptase beta-1 | Tryptase-2 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 30518.79 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_210702 | ||
| Residue: | 275 | ||
| Sequence: |
| ||
| Component 3 | |||
| Name: | Tryptase delta | ||
| Synonyms: | Delta-tryptase | HmMCP-3-like tryptase III | Mast cell mMCP-7-like | TPSD1 | TRYD_HUMAN | Tryptase delta | Tryptase-3 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 26578.73 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_104777 | ||
| Residue: | 242 | ||
| Sequence: |
| ||
| BDBM50093164 | |||
| n/a | |||
| Name | BDBM50093164 | ||
| Synonyms: | CHEMBL308632 | Derivative of APC-2059 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C36H52N12O6 | ||
| Mol. Mass. | 748.8749 | ||
| SMILES | NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)OC[C@H]2CC[C@H](COC(=O)N3CCN(CC3)C(=O)NCc3ccc(cc3)N=C(N)N)CC2)cc1 |wU:25.26,wD:22.22,(-5.9,-4.38,;-5.9,-5.92,;-7.23,-6.69,;-4.57,-6.69,;-3.22,-5.92,;-1.89,-6.69,;-.55,-5.92,;-.55,-4.38,;.78,-3.6,;2.11,-4.35,;3.44,-3.58,;3.44,-2.04,;4.79,-4.35,;6.1,-3.57,;7.45,-4.34,;7.45,-5.89,;6.12,-6.66,;4.79,-5.89,;8.79,-6.66,;8.79,-8.18,;10.12,-5.89,;11.45,-6.66,;12.78,-5.89,;14.12,-6.66,;15.45,-5.89,;15.46,-4.34,;16.79,-3.57,;18.13,-4.34,;19.46,-5.12,;19.46,-6.66,;20.8,-4.34,;22.13,-5.12,;23.46,-4.35,;23.46,-2.81,;22.14,-2.03,;20.8,-2.8,;24.81,-2.04,;24.81,-.5,;26.14,-2.81,;27.48,-2.06,;28.81,-2.83,;28.81,-4.38,;30.14,-5.15,;31.47,-4.38,;31.47,-2.83,;30.14,-2.06,;32.82,-5.15,;34.15,-4.38,;34.15,-2.83,;35.49,-5.15,;14.12,-3.57,;12.78,-4.35,;-1.89,-3.6,;-3.22,-4.38,)| | ||
| Structure | 
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