BIOPEP-UWM: Virtual Peptide Data
ID
Name
Sequence
DNRMLYRTTR
Chemical Mass
Number of residues
Monoisotopic Mass
EC50
IC50
µM
Additional Information
BIOPEP-UWM Virtual database SMILES: N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O InChI=1S/C54H92N20O17S/c1-25(2)21-35(71-44(83)33(16-20-92-5)68-43(82)31(9-6-17-63-52(57)58)66-48(87)37(24-38(56)78)70-42(81)30(55)23-39(79)80)46(85)72-36(22-28-12-14-29(77)15-13-28)47(86)67-32(10-7-18-64-53(59)60)45(84)73-41(27(4)76)50(89)74-40(26(3)75)49(88)69-34(51(90)91)11-8-19-65-54(61)62/h12-15,25-27,30-37,40-41,75-77H,6-11,16-24,55H2,1-5H3,(H2,56,78)(H,66,87)(H,67,86)(H,68,82)(H,69,88)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,89)(H,79,80)(H,90,91)(H4,57,58,63)(H4,59,60,64)(H4,61,62,65)/t26-,27-,30+,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1 InChIKey=SNGKDIMTWWJGSB-WJBOKMOASA-N Bioactivity predicted using molecular docking
activity
references
function information
database references
screen and print virtual peptide data
list of virtual peptides