MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: A85
Name: N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
SMILES: C
C(C)C(C(=O)NC(Cc1ccccc1)C(C(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)N(C)Cc3ccccn3)(F)F)(O)O)NC(=O)N
(C)Cc4ccccn4

[show PDB table]

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

Neutral Molecules: 20894Ionic States: 5564Tautomers: 2035Drug Similarity: 34

Items found 1 - 20 of 20894

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MMs03447452 tanimoto score: 0.84	MMs00028925 tanimoto score: 0.83	MMs03829533 tanimoto score: 0.82	MMs03642597 tanimoto score: 0.82
MMs03648609 tanimoto score: 0.82	MMs03829482 tanimoto score: 0.82	MMs03512551 tanimoto score: 0.82	MMs00029250 tanimoto score: 0.82
MMs03620598 tanimoto score: 0.82	MMs03623801 tanimoto score: 0.82	MMs02887294 tanimoto score: 0.82	MMs03648556 tanimoto score: 0.82
MMs03649369 tanimoto score: 0.82	MMs03649403 tanimoto score: 0.82	MMs03620575 tanimoto score: 0.82	MMs03642671 tanimoto score: 0.82
MMs03512534 tanimoto score: 0.82	MMs00028916 tanimoto score: 0.82	MMs03847622 tanimoto score: 0.82	MMs03847587 tanimoto score: 0.82

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