Summary
Ligand ID 30778
Biomolecule ID 8422
Path 1FMQ/1/A/D34`25
PDB Chain ID A
Name D34
Isomeric SMILES Bound c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])NC4CCC4)C(=[NH2+])NC5CCC5
Residue Number 25
Heavy Atoms 31
Gini Index (Contacts) 0.26

Ligand Fragment ID Depiction Ligand ID Fragment ID Hit NPR1 NPR2 ASA Buriedness AASA Buriedness PASA Buriedness FCD FAD Root
546180 30778 207150 1 0.69 0.64 0.95 1.0 1.0 True
546179 30778 201218 2 0.74 0.69 0.95 1.1 1.06 False
546178 30778 201218 1 0.71 0.66 0.95 1.04 1.04 False
546177 30778 196359 2 0.69 0.66 0.97 1.03 1.06 False
546176 30778 196359 1 0.72 0.69 0.94 1.1 1.01 False
546175 30778 189741 1 0.79 0.74 0.95 1.16 1.12 False
546174 30778 181593 2 0.79 0.76 0.97 1.13 1.15 False
546173 30778 181593 1 0.78 0.76 0.94 1.16 1.1 False
546172 30778 178725 2 0.77 0.74 0.94 1.17 1.07 False
546171 30778 178725 1 0.78 0.74 0.97 1.15 1.15 False
546170 30778 170451 2 0.77 0.74 0.94 1.17 1.12 False
546169 30778 170451 1 0.77 0.74 0.97 1.13 1.12 False
546168 30778 160201 1 0.75 0.74 1.0 1.16 1.09 False
546167 30778 140255 1 0.69 0.65 0.94 1.06 0.99 False
546166 30778 127012 2 0.75 0.74 1.0 1.13 1.05 False
546165 30778 127012 1 0.75 0.74 1.0 1.17 1.15 False
546164 30778 109519 1 0.74 0.74 1.0 1.14 1.11 False
546163 30778 104908 2 0.77 0.73 0.94 1.14 1.22 False
546162 30778 104908 1 0.77 0.72 0.97 1.06 1.22 False
546161 30778 80206 2 0.77 0.72 0.94 1.15 1.11 False
546160 30778 80206 1 0.77 0.72 0.97 1.05 1.11 False
546159 30778 79664 2 0.76 0.71 0.97 1.08 1.22 False
546158 30778 79664 1 0.76 0.71 0.94 1.15 1.19 False
546157 30778 71705 2 0.73 0.7 0.93 1.1 1.27 False
546156 30778 71705 1 0.69 0.64 0.97 0.92 1.27 False
546155 30778 66309 2 0.75 0.7 0.94 1.15 1.07 False
546154 30778 66309 1 0.76 0.7 0.97 1.09 1.11 False
546153 30778 59786 2 0.68 0.63 0.97 0.92 1.19 False
546152 30778 59786 1 0.72 0.69 0.93 1.11 1.19 False
546151 30778 50341 2 0.72 0.71 1.0 1.13 1.24 False
546150 30778 50341 1 0.72 0.71 1.0 1.09 1.15 False
546149 30778 43376 2 0.71 0.7 1.0 1.09 1.2 False
546148 30778 43376 1 0.71 0.7 1.0 1.09 1.24 False
546147 30778 37217 2 0.71 0.7 1.0 1.09 1.0 False
546146 30778 37217 1 0.71 0.7 1.0 1.14 1.1 False
546145 30778 28716 2 0.87 0.84 0.97 1.1 1.51 False
546144 30778 28716 1 0.86 0.84 0.93 1.23 1.51 False
546143 30778 27626 2 0.7 0.69 1.0 1.09 1.1 False
546142 30778 27626 1 0.71 0.69 1.0 1.09 1.04 False
546141 30778 20839 2 0.87 0.83 0.97 1.12 1.44 False
546140 30778 20839 1 0.86 0.84 0.93 1.26 1.44 False
546139 30778 18977 2 0.85 0.83 0.93 1.24 1.49 False
546138 30778 18977 1 0.86 0.83 0.97 1.15 1.55 False
546137 30778 9894 2 0.86 0.82 0.97 1.18 1.47 False
546136 30778 9894 1 0.85 0.81 0.93 1.28 1.4 False
546135 30778 5792 2 0.68 0.6 0.93 1.04 1.44 False
546134 30778 5792 1 0.62 0.52 0.97 0.75 1.44 False
546133 30778 4688 2 0.83 0.83 1.17 1.51 False
546132 30778 4688 1 0.83 0.83 1.25 1.65 False
546131 30778 3008 1 0.6 0.57 1.0 0.96 1.48 False
546130 30778 1872 2 0.81 0.81 1.29 1.56 False
546129 30778 1872 1 0.82 0.82 1.21 1.39 False
546128 30778 670 2 0.51 0.5 0.77 0.49 1.15 False
546127 30778 670 1 0.59 0.59 0.6 0.9 1.63 False
546126 30778 659 2 0.58 0.54 1.0 0.95 1.24 False
546125 30778 659 1 0.59 0.56 1.0 0.95 1.24 False
Protein Fragment Chain Secondary Structure Length Sequence N-Terminal C-Terminal Completeness