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 1 - 20 of 2161

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MMs03495638 tanimoto score: 0.95	MMs03269792 tanimoto score: 0.95	MMs03856399 tanimoto score: 0.95	MMs03505115 tanimoto score: 0.95
MMs03445026 tanimoto score: 0.95	MMs03445211 tanimoto score: 0.95	MMs03462845 tanimoto score: 0.95	MMs03505838 tanimoto score: 0.95
MMs03445210 tanimoto score: 0.95	MMs01725964 tanimoto score: 0.95	MMs01725965 tanimoto score: 0.95	MMs01725967 tanimoto score: 0.95
MMs01725966 tanimoto score: 0.95	MMs03102207 tanimoto score: 0.93	MMs03365086 tanimoto score: 0.93	MMs01726149 tanimoto score: 0.93
MMs03445234 tanimoto score: 0.93	MMs00457953 tanimoto score: 0.93	MMs01726151 tanimoto score: 0.93	MMs03084717 tanimoto score: 0.93

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