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Ligand · V2M

V2M · N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

V2M, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (C24 H34 N4 O6, 474.6 g/mol), in the MolNFT structures on GenesisL1: bound in 15 records (14…

Component
V2M
Formula
C24 H34 N4 O6
Class
ligand
Structures
15
PDB entries
14

Binding sites

V2M in 15 structures; the first of them:

  • 6XHL · Covalent complex of SARS-CoV main protease with… · V2M A9001 · binds LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144 and 12 more
  • 8DSU · Crystal Structure of SARS CoV-2 Mpro with Pfizer Intravenous Inhibitor PF-00835231 · V2M A502 · binds LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
  • 8DT9 · Crystal Structure of SARS CoV-2 Mpro mutant L141R with Pfizer Intravenous Inhibitor… · V2M A502 · binds LEU27, HIS41, MET49, PHE140, ARG141, ASN142, GLY143, SER144 and 13 more
  • 8E4W · Crystal Structure of SARS CoV-2 Mpro mutant N142P with Pfizer Intravenous Inhibitor… · V2M A401 · binds LEU27, HIS41, MET49, PHE140, LEU141, PRO142, GLY143, SER144 and 12 more
  • 8E7C · Crystal Structure of Porcine Deltacoronavirus (HKU-15) Mpro with Pfizer Intravenous… · V2M A401 · binds ALA26, LEU27, HIS41, LYS45, PHE139, LEU140, ASN141, GLY142 and 13 more
  • 8J32 · Crystal structure of SARS-Cov-2 main protease in complex with PF00835231 · V2M A401 · binds LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
  • 8J34 · Crystal structure of MERS main protease in complex with PF00835231 · V2M A401 · binds LEU27, HIS41, LEU49, PHE143, LEU144, CYS145, GLY146, SER147 and 12 more
  • 8J35 · Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231 · V2M A401 · binds LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
  • 8J37 · Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231 · V2M A401 · binds LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
  • 8J38 · Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231 · V2M A401 · binds LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144 and 12 more
  • 8J39 · Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231 · V2M A401 · binds LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144 and 12 more
  • 8J3A · Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231 · V2M A401 · binds LEU27, HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 12 more
  • 8J3B · Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231 · V2M A501 · binds LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
  • 6XHL · Covalent complex of SARS-cov main protease with N-[(2S)-1-({(2S,3S)-3… · V2M A9001 · binds LEU27, HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 10 more
  • 6XHM · Covalent complex of SARS-cov-2 main protease with N-[(2S)-1-({(2S,3S)… · V2M A9001 · binds LEU27, HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 11 more

Residues it binds most

HIS 30, LEU 30, MET 28, GLU 30, SER 28, CYS 30, ALA 29, PHE 30, ASP 30, GLN 28 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • NA · Sodium ion
  • EDO · 1,2-ethanediol

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