PRD_002222

peptide inhibitor

PRD_002222 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5DNJ.

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Chemical Component Summary
Name	peptide inhibitor
Identifiers	[(2~{R},3~{S})-4-azanyl-3-[[(2~{S})-2-[[(2~{S})-2-[3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]propanoylamino]-3-[3-(8-phenyloctyl)imidazol-4-yl]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butan-2-yl] dihydrogen phosphate
Formula	C₃₈ H₅₃ Br N₇ O₁₁ P
Molecular Weight	894.745
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cncn1CCCCCCCCc2ccccc2)NC(=O)CCNC(=O)c3ccc(c(c3)Br)OC)OP(=O)(O)O
InChI	InChI=1S/C38H53BrN7O11P/c1-25(57-58(53,54)55)34(35(40)49)45-38(52)31(23-47)44-37(51)30(43-33(48)17-18-42-36(50)27-15-16-32(56-2)29(39)20-27)21-28-22-41-24-46(28)19-11-6-4-3-5-8-12-26-13-9-7-10-14-26/h7,9-10,13-16,20,22,24-25,30-31,34,47H,3-6,8,11-12,17-19,21,23H2,1-2H3,(H2,40,49)(H,42,50)(H,43,48)(H,44,51)(H,45,52)(H2,53,54,55)/t25-,30+,31+,34+/m1/s1
InChIKey	UPQZJHRNNZKUFC-ABPGDMOISA-N
Composition	Polymer Sequences: 707-56A-SER-TPO-NH2
BIRD class	ENZYME INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	111
Chiral Atom Count	4
Bond Count	113
Aromatic Bond Count	17

Related Resource References

Resource Name	Reference
PubChem	118703096

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.