PDB Entry (3ob9)

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Visualizer: MichelaNGLo

PDB ID: 3ob9 Resolution: 2.5 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
Protein Name: Male-specific lethal 3 homolog
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: Q8N5Y2 (MS3L1_HUMAN) Organism: Homo sapiens
Gene Symbol: MSL3 Gene ID: 10943
Pocket Descriptors
Volume: 1404.42 Depth: 35.8259
Hydrophobicity: 0.672922 Drug Score: 0.856605
Pocket Similarity: Calculate
Ligand
Ligand Name:   2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
HET ID:   NHE PubChem:   3852474, 66898
DrugBank:   DB03309 ChEMBL:   CHEMBL1234722
Canonical SMILES:   OS(=O)(=O)CCNC1CCCCC1
Standard InChI:   InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)
Molecular Formula:   C8H17NO3S Mol. Weight:   207.29048 Heavy Atoms:   13
Charge:   0 Is Chiral:   False logP:   2.2682
HBD:   2 HBA:   4 TPSA:   74.78
#Bonds:   13 #Rotatable Bonds:   4 Shape Complexity:   1.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-