MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: 985
Name: (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid
SMILES: CN1CCCN(CC1)c
2cncc(n2)c3cccc(c3)C=CC(=O)O

[show PDB table]

MMsINC molecules which have a Tanimoto coefficient superior or equal to 0.70

Neutral Molecules: 20923Ionic States: 2144Tautomers: 2601Drug Similarity: 12

Items found 1 - 20 of 20923

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MMs03234765 tanimoto score: 0.83	MMs00094837 tanimoto score: 0.82	MMs02543902 tanimoto score: 0.82	MMs02543882 tanimoto score: 0.82
MMs02547300 tanimoto score: 0.82	MMs00273388 tanimoto score: 0.82	MMs02547330 tanimoto score: 0.82	MMs02889538 tanimoto score: 0.82
MMs03954390 tanimoto score: 0.82	MMs02547316 tanimoto score: 0.82	MMs02198507 tanimoto score: 0.82	MMs02547502 tanimoto score: 0.82
MMs03411253 tanimoto score: 0.82	MMs00458360 tanimoto score: 0.81	MMs00458365 tanimoto score: 0.81	MMs00458332 tanimoto score: 0.81
MMs02625930 tanimoto score: 0.81	MMs02547484 tanimoto score: 0.81	MMs02265982 tanimoto score: 0.81	MMs02543893 tanimoto score: 0.81