PDB Entry (2b2v)

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Visualizer: MichelaNGLo

PDB ID: 2b2v Resolution: 2.65 Å Exp. Method: X-RAY DIFFRACTION
PMID: 16372014 DOI: 10.1038/nature04290
Protein
Protein Name: Chromodomain-helicase-DNA-binding protein 1
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: O14646 (CHD1_HUMAN) Organism: Homo sapiens
Gene Symbol: CHD1 Gene ID: 1105
Pocket Descriptors
Volume: 152.704 Depth: 10.5646
Hydrophobicity: 0.769231 Drug Score: 0.0657693
Pocket Similarity: Calculate
Ligand
Ligand Name:   N-METHYL-LYSINE
HET ID:   MLZ PubChem:   164795
DrugBank:   DB01714 ChEMBL:   CHEMBL1234366
Canonical SMILES:   CNCCCC[C@@H](C(=O)O)N
Standard InChI:   InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
Molecular Formula:   C7H16N2O2 Mol. Weight:   160.21414 Heavy Atoms:   11
Charge:   0 Is Chiral:   True logP:   0.8792
HBD:   3 HBA:   4 TPSA:   75.35
#Bonds:   11 #Rotatable Bonds:   6 Shape Complexity:   0.85714287
Stereocomplexity:   0.14285715 Ligand Type:   H3K4me1
Binding Affinity
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