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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Trypsin | ||
| Ligand | BDBM50103200 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1564074 (CHEMBL3783215) | ||
| Ki | 64±n/a nM | ||
| Citation |  Corte, JR; Fang, T; Pinto, DJ; Orwat, MJ; Rendina, AR; Luettgen, JM; Rossi, KA; Wei, A; Ramamurthy, V; Myers, JE; Sheriff, S; Narayanan, R; Harper, TW; Zheng, JJ; Li, YX; Seiffert, DA; Wexler, RR; Quan, ML Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group. Bioorg Med Chem24:2257-72 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Trypsin | |||
| Name: | Trypsin | ||
| Synonyms: | Serine protease 1/Trypsin-2/Trypsin-3 | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of ChEMBL is 2155713 | ||
| Components: | This complex has 3 components. | ||
| Component 1 | |||
| Name: | Serine protease 1 | ||
| Synonyms: | Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 26557.80 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P07477 | ||
| Residue: | 247 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Trypsin-2 | ||
| Synonyms: | Anionic trypsinogen | PRSS2 | Serine protease 2 | TRY2 | TRY2_HUMAN | TRYP2 | Thrombin & trypsin | Trypsin | Trypsin II | Trypsin-2 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 26479.43 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_41517 | ||
| Residue: | 247 | ||
| Sequence: |
| ||
| Component 3 | |||
| Name: | Trypsin-3 | ||
| Synonyms: | Brain trypsinogen | Mesotrypsinogen | PRSS3 | PRSS4 | Serine protease 3 | Serine protease 4 | TRY3 | TRY3_HUMAN | TRY4 | Thrombin & trypsin | Trypsin | Trypsin III | Trypsin IV | Trypsin-3 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 32532.52 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_216043 | ||
| Residue: | 304 | ||
| Sequence: |
| ||
| BDBM50103200 | |||
| n/a | |||
| Name | BDBM50103200 | ||
| Synonyms: | CHEMBL3393386 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H32N6O | ||
| Mol. Mass. | 468.5933 | ||
| SMILES | NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)| | ||
| Structure | 
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