PDB Entry (6t05)

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Visualizer: MichelaNGLo

PDB ID: 6t05 Resolution: 1.5 Å Exp. Method: X-RAY DIFFRACTION
PMID: 32101404 DOI: 10.1021/acschembio.9b00894
Protein
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: 536.384 Depth: 17.088
Hydrophobicity: 0.742647 Drug Score: 0.588769
Pocket Similarity: Calculate
Ligand
Ligand Name:   2-(phenylmethyl)imidazolidine
HET ID:   M6H PubChem:   54051513
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C1CNC(N1)Cc1ccccc1
Standard InChI:   InChI=1S/C10H14N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10-12H,6-8H2
Molecular Formula:   C10H14N2 Mol. Weight:   162.23157 Heavy Atoms:   12
Charge:   0 Is Chiral:   False logP:   1.4056
HBD:   2 HBA:   2 TPSA:   24.06
#Bonds:   13 #Rotatable Bonds:   2 Shape Complexity:   0.4
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-