| Reaction Details |
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 | Report a problem with these data |
| Target | Chymotrypsinogen B2 |
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| Ligand | BDBM50541586 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1984904 (CHEMBL4618310) |
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| Ki | 20±n/a nM |
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| Citation |  Yang, W; Wang, Y; Lai, A; Clark, CG; Corte, JR; Fang, T; Gilligan, PJ; Jeon, Y; Pabbisetty, KB; Rampulla, RA; Mathur, A; Kaspady, M; Neithnadka, PR; Arumugam, A; Raju, S; Rossi, KA; Myers, JE; Sheriff, S; Lou, Z; Zheng, JJ; Chacko, SA; Bozarth, JM; Wu, Y; Crain, EJ; Wong, PC; Seiffert, DA; Luettgen, JM; Lam, PYS; Wexler, RR; Ewing, WR Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J Med Chem63:7226-7242 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Chymotrypsinogen B2 |
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| Name: | Chymotrypsinogen B2 |
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| Synonyms: | 3.4.21.1 | CTRB2 | CTRB2_HUMAN | Chymotrypsin B2 chain A | Chymotrypsin B2 chain B | Chymotrypsin B2 chain C | Chymotrypsinogen B2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 27926.36 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_119704 |
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| Residue: | 263 |
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| Sequence: | MAFLWLLSCWALLGTTFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFC
GGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNND
ITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPL
LSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSRTCST
TTPAVYARVAKLIPWVQKILAAN
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| BDBM50541586 |
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| n/a |
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| Name | BDBM50541586 |
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| Synonyms: | CHEMBL4638245 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H29ClF2N4O4 |
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| Mol. Mass. | 595.036 |
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| SMILES | COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22| |
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| Structure | 
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