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Target
Chymotrypsinogen B2
Ligand
BDBM247411
Substrate
n/a
Meas. Tech.
ChEMBL_2155670 (CHEMBL5040330)
Ki
35±n/a nM
Citation
 Dilger, AK; Pabbisetty, KB; Corte, JR; De Lucca, I; Fang, T; Yang, W; Pinto, DJP; Wang, Y; Zhu, Y; Mathur, A; Li, J; Hou, X; Smith, D; Sun, D; Zhang, H; Krishnananthan, S; Wu, DR; Myers, JE; Sheriff, S; Rossi, KA; Chacko, S; Zheng, JJ; Galella, MA; Ziemba, T; Dierks, EA; Bozarth, JM; Wu, Y; Crain, E; Wong, PC; Luettgen, JM; Wexler, RR; Ewing, WR Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J Med Chem 65:1770-1785 (2022) [PubMed]  Article 
Target
Name:
Chymotrypsinogen B2
Synonyms:
3.4.21.1 | CTRB2 | CTRB2_HUMAN | Chymotrypsin B2 chain A | Chymotrypsin B2 chain B | Chymotrypsin B2 chain C | Chymotrypsinogen B2
Type:
PROTEIN
Mol. Mass.:
27926.36
Organism:
Homo sapiens
Description:
ChEMBL_119704
Residue:
263
Sequence:
MAFLWLLSCWALLGTTFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSRTCSTTTPAVYARVAKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM247411
Synonyms:
US10336754, Example 353 | US11053247, Example 353 | US9453018, 353
Type:
Small organic molecule
Emp. Form.:
C28H23Cl2F2N9O2
Mol. Mass.:
626.444
SMILES:
C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Structure:
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