PRD_002385

Papain-like protease peptide inhibitor VIR250

PRD_002385 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 6WUU.

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Chemical Component Summary
Name	Papain-like protease peptide inhibitor VIR250
Identifiers	methyl 4-[2-[[(2~{S})-2-[[(2~{S})-2-acetamido-4-(1,3-benzothiazol-2-yl)butanoyl]amino]-3-azanyl-propanoyl]amino]ethanoylamino]butanoate
Formula	C₂₃ H₃₂ N₆ O₆ S
Molecular Weight	520.602
Type	PEPTIDE-LIKE
Isomeric SMILES	CC(=O)N[C@@H](CCc1nc2ccccc2s1)C(=O)N[C@@H](CN)C(=O)NCC(=O)NCCCC(=O)OC
InChI	InChI=1S/C23H32N6O6S/c1-14(30)27-16(9-10-20-28-15-6-3-4-7-18(15)36-20)23(34)29-17(12-24)22(33)26-13-19(31)25-11-5-8-21(32)35-2/h3-4,6-7,16-17H,5,8-13,24H2,1-2H3,(H,25,31)(H,26,33)(H,27,30)(H,29,34)/t16-,17-/m0/s1
InChIKey	QVVUIVUVZUMKFL-IRXDYDNUSA-N
Composition	Polymer Sequences: ACE-UB4-DPP-GLY-GVE
BIRD class	ENZYME INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	68
Chiral Atom Count	2
Bond Count	69
Aromatic Bond Count	10

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.