Summary
Ligand ID 8112
Biomolecule ID 2675
Path 1BP8/0/B/DXB`19
PDB Chain ID B
Name DXB
Isomeric SMILES Bound Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@H](C)O)O)OC
Residue Number 19
Heavy Atoms 28
Gini Index (Contacts) 0.65

Ligand Fragment ID Depiction Ligand ID Fragment ID Hit NPR1 NPR2 ASA Buriedness AASA Buriedness PASA Buriedness FCD FAD Root
165443 8112 202215 1 0.4 0.34 0.47 1.0 1.0 True
165442 8112 196933 1 0.48 0.41 0.58 1.08 1.08 False
165441 8112 189903 1 0.51 0.46 0.58 1.17 1.17 False
165440 8112 158110 1 0.53 0.46 0.65 1.18 1.07 False
165439 8112 136609 1 0.53 0.46 0.65 1.24 1.13 False
165438 8112 129557 1 0.51 0.39 0.65 1.12 1.13 False
165437 8112 116507 1 0.51 0.39 0.65 1.19 1.2 False
165436 8112 9435 1 0.29 -0.24 0.43 0.62 0.85 False
Protein Fragment Chain Secondary Structure Length Sequence N-Terminal C-Terminal Completeness