2024-09-28_00000254
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ligand
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9FL0
Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors;
X-ray diffraction 1.94Å
Protein #1
152 residues (98% resolved)
Raw Sequence ...
GMTDCEFGYIYRLAQDYLQCVLQIPQPGSGPSKTSRVLQNVAFSVQKEVEKNLKSCLDNVNVVSVDTARTLFNQVMEKEFEDGIINWGRIVTIFAFEGILIKKLLRQQIAPDVDTYKEISYFVAEFIMNNTGEWIRQNGGWENGFVKKFEPK
Canonical Sequence ...
GMTDCEFGYIYRLAQDYLQCVLQIPQPGSGPSKTSRVLQNVAFSVQKEVEKNLKSCLDNVNVVSVDTARTLFNQVMEKEFEDGIINWGRIVTIFAFEGILIKKLLRQQIAPDVDTYKEISYFVAEFIMNNTGEWIRQNGGWENGFVKKFEPK
Non polymer #2
A1IDG
InChI=1S/C16H13ClFNO/c1-2-16(20)19(15-9-7-14(18)8-10-15)11-12-3-5-13(17)6-4-12/h2-10H,1,11H2
InChI=1S/C16H13ClFNO/c1-2-16(20)19(15-9-7-14(18)8-10-15)11-12-3-5-13(17)6-4-12/h2-10H,1,11H2
SMILES: C=CC(=O)N(Cc1ccc(cc1)Cl)c2ccc(cc2)F
C=CC(=O)N(Cc1ccc(cc1)Cl)c2ccc(cc2)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%