MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: XE4
Name: 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-
HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)
SMILES: CC12CCCC(=CC=C3CC(CC(C3=C)
O)O)C1CCC2C#CC#CC(C)(C)O

[show PDB table]

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

Neutral Molecules: 2161Ionic States: 43Tautomers: 7Drug Similarity: 48

Items found 21 - 40 of 2161

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MMs03921548 tanimoto score: 0.93	MMs03520524 tanimoto score: 0.93	MMs03365086 tanimoto score: 0.93	MMs01726149 tanimoto score: 0.93
MMs01726150 tanimoto score: 0.93	MMs03505777 tanimoto score: 0.93	MMs03506157 tanimoto score: 0.93	MMs03102207 tanimoto score: 0.93
MMs03374384 tanimoto score: 0.92	MMs03086287 tanimoto score: 0.92	MMs03374555 tanimoto score: 0.92	MMs03506167 tanimoto score: 0.92
MMs03463607 tanimoto score: 0.92	MMs03506262 tanimoto score: 0.92	MMs03373058 tanimoto score: 0.92	MMs03506645 tanimoto score: 0.92
MMs03374331 tanimoto score: 0.91	MMs03505113 tanimoto score: 0.91	MMs03520094 tanimoto score: 0.91	MMs03506158 tanimoto score: 0.91

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