PDB Entry (1riu)

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Visualizer: MichelaNGLo

PDB ID: 1riu Resolution: 2.0 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
Protein Name: Light Chain of Fab M82G2
Protein Class: ANTIBODY
Uniprot ID/ACC: - Organism: Mus musculus
Gene Symbol: - Gene ID: -
Pocket Descriptors
Volume: 422.72 Depth: 14.3612
Hydrophobicity: 0.694118 Drug Score: 0.530187
Pocket Similarity: Calculate
Ligand
Ligand Name:   3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID
HET ID:   RBE PubChem:   114718, 5289268
DrugBank:   - ChEMBL:   CHEMBL1235624
Canonical SMILES:   O=C(c1ccccc1)O[C@H]1C[C@@H]2CC[C@H]([C@H]1C(=O)[O-])[NH2+]2
Standard InChI:   InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11+,12-,13+/m0/s1
Molecular Formula:   C15H17NO4 Mol. Weight:   275.29977 Heavy Atoms:   20
Charge:   0 Is Chiral:   True logP:   0.6454
HBD:   1 HBA:   4 TPSA:   83.04
#Bonds:   28 #Rotatable Bonds:   4 Shape Complexity:   0.46666667
Stereocomplexity:   0.26666668 Ligand Type:   Small Molecule
Binding Affinity
-