PDB Entry (6t0z) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6t0z | Resolution: 1.94 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 33058974 | DOI: 10.1016/j.ijbiomac.2020.10.025 | |
Protein |
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Protein Name: YTH domain-containing protein 1 | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q96MU7 (YTDC1_HUMAN) | Organism: Homo sapiens |
Gene Symbol: YTHDC1 | Gene ID: 91746 |
Pocket Descriptors | |
Volume: 684.928 | Depth: 22.4891 |
Hydrophobicity: 0.701087 | Drug Score: 0.384434 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide | ||
HET ID: M75 | PubChem: 54593460 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: O=S(=O)(c1nc[nH]c1)NC1CC1 | ||
Standard InChI: InChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8) | ||
Molecular Formula: C6H9N3O2S | Mol. Weight: 187.21956 | Heavy Atoms: 12 |
Charge: 0 | Is Chiral: False | logP: 1.3221 |
HBD: 2 | HBA: 4 | TPSA: 83.23 |
#Bonds: 14 | #Rotatable Bonds: 3 | Shape Complexity: 0.5 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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