PDB Entry (4a4f)

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Visualizer: MichelaNGLo

PDB ID: 4a4f Resolution: None Å Exp. Method: SOLUTION NMR
PMID: 22101937 DOI: 10.1038/nsmb.2185
Protein
Protein Name: Survival of motor neuron-related-splicing factor 30
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: O75940 (SPF30_HUMAN) Organism: Homo sapiens
Gene Symbol: SMNDC1 Gene ID: 10285
Pocket Descriptors
Volume: 173.568 Depth: 12.5666
Hydrophobicity: 0.774194 Drug Score: 0.586412
Pocket Similarity: Calculate
Ligand
Ligand Name:   N3, N4-DIMETHYLARGININE
HET ID:   2MR PubChem:   169148
DrugBank:   DB02302 ChEMBL:   CHEMBL1229966
Canonical SMILES:   CN/C(=NC)/NCCC[C@@H](C(=O)O)N
Standard InChI:   InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
Molecular Formula:   C8H18N4O2 Mol. Weight:   202.25412 Heavy Atoms:   14
Charge:   0 Is Chiral:   True logP:   0.4554
HBD:   4 HBA:   6 TPSA:   99.74
#Bonds:   14 #Rotatable Bonds:   7 Shape Complexity:   0.75
Stereocomplexity:   0.125 Ligand Type:   Small Molecule
Binding Affinity
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