Summary
Ligand ID 17876
Biomolecule ID 5398
Path 1DL8/1/A/DA7`3014
PDB Chain ID A
Name DA7
Isomeric SMILES Bound C[NH+](C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F
Residue Number 3014
Heavy Atoms 24
Gini Index (Contacts) 0.24

Ligand Fragment ID Depiction Ligand ID Fragment ID Hit NPR1 NPR2 ASA Buriedness AASA Buriedness PASA Buriedness FCD FAD Root
325575 17876 190854 1 0.64 0.65 0.58 1.0 1.0 True
325574 17876 176923 1 0.7 0.73 0.57 1.08 1.09 False
325573 17876 166062 1 0.74 0.79 0.57 1.12 1.15 False
325572 17876 158138 1 0.77 0.82 0.57 1.14 1.21 False
325571 17876 151269 1 0.8 0.86 0.57 1.16 1.21 False
325570 17876 137197 1 0.83 0.91 0.57 1.19 1.28 False
325569 17876 115073 1 0.81 0.86 0.53 1.22 1.35 False
325568 17876 107618 1 0.85 0.91 0.53 1.25 1.43 False
325567 17876 94278 1 0.81 0.86 0.53 1.24 1.43 False
325566 17876 89256 1 0.84 0.91 0.53 1.28 1.53 False
325565 17876 9138 1 0.4 0.36 0.66 0.61 1.1 False
325564 17876 1238 1 0.38 0.27 0.64 0.69 1.48 False
Protein Fragment Chain Secondary Structure Length Sequence N-Terminal C-Terminal Completeness