PDB Entry (4qq6)

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Visualizer: MichelaNGLo

PDB ID: 4qq6 Resolution: 1.75 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
Protein Name: Survival motor neuron protein
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: Q16637 (SMN_HUMAN) Organism: Homo sapiens
Gene Symbol: SMN1 Gene ID: 6606
Pocket Descriptors
Volume: 107.968 Depth: 9.54149
Hydrophobicity: 0.795918 Drug Score: 0.581319
Pocket Similarity: Calculate
Ligand
Ligand Name:   4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine
HET ID:   36X PubChem:   904112
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N=c1c2CCCc2n(c2c1CCC2)C
Standard InChI:   InChI=1S/C12H16N2/c1-14-10-6-2-4-8(10)12(13)9-5-3-7-11(9)14/h13H,2-7H2,1H3
Molecular Formula:   C12H16N2 Mol. Weight:   188.26884 Heavy Atoms:   14
Charge:   0 Is Chiral:   False logP:   1.5817
HBD:   1 HBA:   2 TPSA:   28.78
#Bonds:   16 #Rotatable Bonds:   0 Shape Complexity:   0.5833333
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-