PDB Entry (6szn)

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Visualizer: MichelaNGLo
PDB ID: 6szn Resolution: 1.47 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: 411.456 Depth: 16.5021
Hydrophobicity: 0.737288 Drug Score: 0.488138
Pocket Similarity: Calculate
Ligand
Ligand Name:   N-carbamoylbenzamide
HET ID:   YZM PubChem:   69190
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=C(c1ccccc1)NC(=O)N
Standard InChI:   InChI=1S/C8H8N2O2/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
Molecular Formula:   C8H8N2O2 Mol. Weight:   164.16132 Heavy Atoms:   12
Charge:   0 Is Chiral:   False logP:   1.5863
HBD:   2 HBA:   4 TPSA:   72.19
#Bonds:   12 #Rotatable Bonds:   3 Shape Complexity:   0.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-