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8DEA
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BU of 8dea by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-20
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DG6
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BU of 8dg6 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide, Complement factor D
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-23
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8D95
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BU of 8d95 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-09
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
4ACP
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BU of 4acp by Molmil
Deactivation of human IgG1 Fc by endoglycosidase treatment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG GAMMA-1 CHAIN C REGION
Authors:Raman, K, Bowden, T.A, Krishna, B.A, Dwek, R.A, Crispin, M, Scanlan, C.N.
Deposit date:2011-12-16
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Selective Deactivation of Serum Igg: A General Strategy for the Enhancement of Monoclonal Antibody Receptor Interactions.
J.Mol.Biol., 420, 2012
2EC9
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BU of 2ec9 by Molmil
Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607
Descriptor: 1,5-anhydro-D-glucitol, 2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID, CALCIUM ION, ...
Authors:Raman, K, Yarlagadda, B.
Deposit date:2007-02-13
Release date:2008-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa.
Acta Crystallogr.,Sect.D, 63, 2007
7N7X
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BU of 7n7x by Molmil
Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution
Descriptor: Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain
Authors:Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W.
Deposit date:2021-06-11
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
J.Med.Chem., 64, 2021

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