PDB Entry (6yl8)

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Visualizer: MichelaNGLo

PDB ID: 6yl8 Resolution: 1.5 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
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: 868.096 Depth: 22.6486
Hydrophobicity: 0.720379 Drug Score: 0.685836
Pocket Similarity: Calculate
Ligand
Ligand Name:   (2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine
HET ID:   OWZ PubChem:   39242973
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[C@H]1CO[C@@H](CN1)c1ccccc1Cl
Standard InChI:   InChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1
Molecular Formula:   C11H14ClNO Mol. Weight:   211.68796 Heavy Atoms:   14
Charge:   0 Is Chiral:   True logP:   2.7182
HBD:   1 HBA:   2 TPSA:   21.26
#Bonds:   17 #Rotatable Bonds:   1 Shape Complexity:   0.45454547
Stereocomplexity:   0.18181819 Ligand Type:   Small Molecule
Binding Affinity
-