Summary
Ligand ID 23877
Biomolecule ID 6617
Path 1EEL/1/B/D24`25
PDB Chain ID B
Name D24
Isomeric SMILES Bound c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])NC4CCCC4)C(=[NH2+])NC5CCCC5
Residue Number 25
Heavy Atoms 33
Gini Index (Contacts) 0.25

Ligand Fragment ID Depiction Ligand ID Fragment ID Hit NPR1 NPR2 ASA Buriedness AASA Buriedness PASA Buriedness FCD FAD Root
424730 23877 210078 1 0.68 0.64 0.96 1.0 1.0 True
424729 23877 203430 2 0.72 0.66 0.96 1.05 0.99 False
424728 23877 203430 1 0.73 0.69 0.96 1.11 1.12 False
424727 23877 197193 2 0.7 0.66 0.99 1.04 0.97 False
424726 23877 197193 1 0.71 0.69 0.93 1.1 1.09 False
424725 23877 189741 1 0.8 0.75 0.96 1.19 1.14 False
424724 23877 181593 2 0.76 0.73 0.99 1.16 1.1 False
424723 23877 181593 1 0.77 0.75 0.93 1.18 1.1 False
424722 23877 178725 2 0.77 0.75 0.93 1.19 1.1 False
424721 23877 178725 1 0.78 0.75 0.99 1.19 1.12 False
424720 23877 170451 2 0.77 0.74 0.93 1.18 1.13 False
424719 23877 170451 1 0.78 0.74 0.99 1.18 1.15 False
424718 23877 160201 1 0.75 0.75 1.0 1.19 1.08 False
424717 23877 146241 1 0.68 0.64 0.93 1.07 1.1 False
424716 23877 127012 2 0.75 0.74 1.0 1.19 1.11 False
424715 23877 127012 1 0.75 0.74 1.0 1.19 1.11 False
424714 23877 109519 1 0.74 0.74 1.0 1.18 1.14 False
424713 23877 104908 2 0.76 0.71 0.93 1.17 1.21 False
424712 23877 104908 1 0.74 0.68 0.99 1.07 1.18 False
424711 23877 84257 2 0.72 0.69 0.92 1.1 1.36 False
424710 23877 84257 1 0.69 0.64 0.99 0.91 1.12 False
424709 23877 80206 2 0.75 0.71 0.93 1.17 1.12 False
424708 23877 80206 1 0.73 0.67 0.99 1.05 1.05 False
424707 23877 79664 2 0.76 0.71 0.93 1.19 1.22 False
424706 23877 79664 1 0.76 0.7 0.99 1.11 1.22 False
424705 23877 68396 2 0.72 0.68 0.92 1.12 1.38 False
424704 23877 68396 1 0.68 0.63 0.99 0.9 1.05 False
424703 23877 66309 2 0.76 0.7 0.99 1.09 1.09 False
424702 23877 66309 1 0.75 0.7 0.93 1.19 1.12 False
424701 23877 50341 2 0.71 0.7 1.0 1.11 1.17 False
424700 23877 50341 1 0.72 0.71 1.0 1.2 1.21 False
424699 23877 43376 2 0.71 0.7 1.0 1.09 1.22 False
424698 23877 43376 1 0.71 0.7 1.0 1.19 1.27 False
424697 23877 37217 2 0.71 0.7 1.0 1.2 1.09 False
424696 23877 37217 1 0.71 0.7 1.0 1.08 1.0 False
424695 23877 28716 2 0.83 0.78 0.99 1.1 1.43 False
424694 23877 28716 1 0.86 0.83 0.92 1.26 1.48 False
424693 23877 27626 2 0.71 0.7 1.0 1.19 1.14 False
424692 23877 27626 1 0.7 0.69 1.0 1.06 1.05 False
424691 23877 20839 2 0.82 0.76 0.99 1.1 1.36 False
424690 23877 20839 1 0.85 0.82 0.92 1.29 1.52 False
424689 23877 18977 2 0.87 0.83 0.99 1.16 1.52 False
424688 23877 18977 1 0.86 0.84 0.92 1.29 1.52 False
424687 23877 11082 2 0.67 0.59 0.92 0.97 1.57 False
424686 23877 11082 1 0.62 0.52 0.99 0.78 1.16 False
424685 23877 9894 2 0.87 0.82 0.99 1.18 1.46 False
424684 23877 9894 1 0.86 0.83 0.92 1.34 1.57 False
424683 23877 4688 2 0.83 0.83 1.16 1.51 False
424682 23877 4688 1 0.84 0.84 1.33 1.57 False
424681 23877 3551 2 0.58 0.58 0.55 0.81 1.5 False
424680 23877 3551 1 0.52 0.5 1.0 0.58 0.97 False
424679 23877 3008 1 0.59 0.57 1.0 1.04 1.5 False
424678 23877 1872 2 0.83 0.83 1.39 1.65 False
424677 23877 1872 1 0.82 0.82 1.18 1.42 False
424676 23877 1343 2 0.57 0.57 0.55 0.73 1.48 False
424675 23877 1343 1 0.51 0.49 1.0 0.46 0.79 False
424674 23877 659 2 0.58 0.55 1.0 1.02 1.31 False
424673 23877 659 1 0.57 0.54 1.0 0.97 1.22 False
Protein Fragment Chain Secondary Structure Length Sequence N-Terminal C-Terminal Completeness