PDB Entry (6t03)

Download

Visualizer: MichelaNGLo

PDB ID: 6t03 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: 367.232 Depth: 9.60833
Hydrophobicity: 0.708861 Drug Score: 0.789646
Pocket Similarity: Calculate
Ligand
Ligand Name:   1,3-dihydroimidazole-2-thione
HET ID:   MZY PubChem:   1201386
DrugBank:   - ChEMBL:   CHEMBL3260774
Canonical SMILES:   S=c1[nH]cc[nH]1
Standard InChI:   InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
Molecular Formula:   C3H4N2S Mol. Weight:   100.14226 Heavy Atoms:   6
Charge:   0 Is Chiral:   False logP:   1.0723
HBD:   2 HBA:   1 TPSA:   63.67
#Bonds:   8 #Rotatable Bonds:   0 Shape Complexity:   0.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-