Summary
Ligand ID 17878
Biomolecule ID 5398
Path 1DL8/1/B/DA7`3014
PDB Chain ID B Quaternary
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
325587 17878 190854 1 0.64 0.65 0.58 1.0 1.0 True
325586 17878 176923 1 0.7 0.73 0.57 1.08 1.09 False
325585 17878 166062 1 0.74 0.79 0.57 1.12 1.15 False
325584 17878 158138 1 0.77 0.82 0.57 1.14 1.21 False
325583 17878 151269 1 0.8 0.86 0.57 1.16 1.21 False
325582 17878 137197 1 0.83 0.91 0.57 1.19 1.28 False
325581 17878 115073 1 0.81 0.86 0.54 1.22 1.35 False
325580 17878 107618 1 0.85 0.91 0.54 1.25 1.43 False
325579 17878 94278 1 0.81 0.86 0.54 1.24 1.43 False
325578 17878 89256 1 0.84 0.91 0.54 1.28 1.53 False
325577 17878 9138 1 0.4 0.36 0.66 0.61 1.1 False
325576 17878 1238 1 0.38 0.27 0.63 0.69 1.48 False
Protein Fragment Chain Secondary Structure Length Sequence N-Terminal C-Terminal Completeness