A1BK3
General
Type : Peptide
Chemical_Nomenclature : N-carboxy-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-methoxy-4-oxo-1-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]butan-2-yl}-L-lysinamide
Canonical SMILES : COC(=O)[C@@H]([C@H](C[C@@H]1CC=NC1=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)O)O
InChI : InChI=1S\/C25H35N5O8\/c1-38-24(35)20(31)18(14-16-10-12-27-21(16)32)29-22(33)17(9-5-6-11-26)28-23(34)19(30-25(36)37)13-15-7-3-2-4-8-15\/h2-4,7-8,12,16-20,30-31H,5-6,9-11,13-14,26H2,1H3,(H,28,34)(H,29,33)(H,36,37)\/t16-,17-,18-,19-,20+\/m0\/s1
InChIKey : WFSLHCGPTMFRHH-VYJAJWGXSA-N
Other name(s) : [(2~{S})-1-[[(2~{S})-6-azanyl-1-[[(2~{S},3~{R})-4-methoxy-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamic acid
Target
Families : A1BK3 ligand of proteins in family
Tiancimycin-TnmK-Tripeptidase-HIP
Structure :
9MD8
Protein :
myctu-ym24
References (3)
| Title : Discovery of highly potent alpha-keto ester-based peptidomimetic inhibitors of the Hip1 protease for the treatment of Mycobacterium tuberculosis - Schumann_2025_Eur.J.Med.Chem.Rep_15_100311 |
| Author(s) : Schumann N , Shamma F , Brooks CL , Johnson SJ , Yim MK , Olsen KJ , Pena K , Karakousis PC , Abell A , Goldfarb NE |
| Ref : Eur J Med Chem Rep , 15 :100311 , 2025 |
| Abstract : |
| PubMedSearch : Schumann_2025_Eur.J.Med.Chem.Rep_15_100311 |
| PubMedID: |
| Title : Discovery of highly potent alpha-keto ester-based peptidomimetic inhibitors of the Hip1 protease for the treatment of Mycobacterium tuberculosis - Schumann_2025_Eur.J.Med.Chem.Rep_15_100311 |
| Author(s) : Schumann N , Shamma F , Brooks CL , Johnson SJ , Yim MK , Olsen KJ , Pena K , Karakousis PC , Abell A , Goldfarb NE |
| Ref : Eur J Med Chem Rep , 15 :100311 , 2025 |
| Abstract : |
| PubMedSearch : Schumann_2025_Eur.J.Med.Chem.Rep_15_100311 |
| PubMedID: |
| Title : Discovery of highly potent alpha-keto ester-based peptidomimetic inhibitors of the Hip1 protease for the treatment of Mycobacterium tuberculosis - Schumann_2025_Eur.J.Med.Chem.Rep_15_100311 |
| Author(s) : Schumann N , Shamma F , Brooks CL , Johnson SJ , Yim MK , Olsen KJ , Pena K , Karakousis PC , Abell A , Goldfarb NE |
| Ref : Eur J Med Chem Rep , 15 :100311 , 2025 |
| Abstract : |
| PubMedSearch : Schumann_2025_Eur.J.Med.Chem.Rep_15_100311 |
| PubMedID: |