PRD_000825

ATKIDNLD peptide

PRD_000825 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3AVL.

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Chemical Component Summary
Name	ATKIDNLD peptide
Identifiers	4-[(2S,5S,8S,11S,14S,17S,20S,23S)-11-(2-azanyl-2-oxidanylidene-ethyl)-5-[(2S)-butan-2-yl]-8,17-bis(2-hydroxy-2-oxoethyl)-20-methyl-14-(2-methylpropyl)-23-[(1R)-1-oxidanylethyl]-3,6,9,12,15,18,21,24-octakis(oxidanylidene)-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]butylazanium
Formula	C₃₇ H₆₃ N₁₀ O₁₄
Molecular Weight	871.955
Type	PEPTIDE-LIKE
Isomeric SMILES	CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCC[NH3+])[C@@H](C)O)C)CC(=O)O)CC(C)C)CC(=O)N)CC(=O)O
InChI	InChI=1S/C37H62N10O14/c1-7-17(4)28-36(60)45-24(15-27(52)53)35(59)43-22(13-25(39)49)34(58)42-21(12-16(2)3)33(57)44-23(14-26(50)51)32(56)40-18(5)30(54)47-29(19(6)48)37(61)41-20(31(55)46-28)10-8-9-11-38/h16-24,28-29,48H,7-15,38H2,1-6H3,(H2,39,49)(H,40,56)(H,41,61)(H,42,58)(H,43,59)(H,44,57)(H,45,60)(H,46,55)(H,47,54)(H,50,51)(H,52,53)/p+1/t17-,18+,19-,20-,21-,22-,23-,24-,28-,29-/m0/s1
InChIKey	ASGLXLCTCAGAKW-FEFMTTLZSA-O
Composition	Polymer Sequences: ALA-THR-LYS-ILE-ASP-ASN-LEU-ASP
BIRD class	ENZYME INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	124
Chiral Atom Count	10
Bond Count	124
Aromatic Bond Count	0

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.