HUR · N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

Binding sites

HUR in 7 structures; the first of them:

• 7XRS · Crystal structure of SARS-Cov-2 main protease in complex with inhibitor YH-53 · HUR A401 · binds THR25, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144 and 12 more
• 7XRY · Crystal structure of MERS main protease in complex with inhibitor YH-53 · HUR A401 · binds MET25, THR26, LEU27, HIS41, LEU49, PHE143, LEU144, CYS145 and 15 more
• 7YGQ · Crystal structure of SARS main protease in complex with inhibitor YH-53 · HUR A401 · binds THR25, LEU27, HIS41, CYS44, MET49, PHE140, LEU141, ASN142 and 14 more
• 8HQG · Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53 · HUR A401 · binds THR25, LEU27, HIS41, MET49, TYR54, PHE140, LEU141, ASN142 and 15 more
• 8HQH · Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53 · HUR A401 · binds THR25, LEU27, HIS41, CYS44, ILE49, PHE140, LEU141, ASN142 and 15 more
• 8HQI · Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53 · HUR A401 · binds THR25, LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143 and 14 more
• 7E18 · Crystal structure of sar-cov-2 3CL protease complex with inhibitor yh- 53 · HUR A401 · binds THR25, LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143 and 13 more

Residues it binds most

HIS 13, LEU 13, THR 13, MET 13, CYS 13, GLN 13, ASP 13, ALA 13, GLU 13, GLY 13 (residue and the binding sites it lines).

Found with

• EDO · 1,2-ethanediol