MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: A77
Name: N-{1-BENZYL-(2R,3S)-2,3-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: CC(C)C(C(=O)NC
(Cc1ccccc1)C(C(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)N(C)Cc3ccccn3)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: 18782Ionic States: 5526Tautomers: 1552Drug Similarity: 34

Items found 1 - 20 of 18782

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MMs02381919 tanimoto score: 0.84	MMs01726844 tanimoto score: 0.84	MMs01726842 tanimoto score: 0.84	MMs03447452 tanimoto score: 0.83
MMs03943646 tanimoto score: 0.82	MMs00028925 tanimoto score: 0.82	MMs00029250 tanimoto score: 0.82	MMs03943643 tanimoto score: 0.82
MMs03943644 tanimoto score: 0.82	MMs03943645 tanimoto score: 0.82	MMs01193352 tanimoto score: 0.81	MMs01191337 tanimoto score: 0.81
MMs01191341 tanimoto score: 0.81	MMs00029231 tanimoto score: 0.81	MMs00028916 tanimoto score: 0.81	MMs01191339 tanimoto score: 0.81
MMs01193353 tanimoto score: 0.81	MMs01191319 tanimoto score: 0.81	MMs01187683 tanimoto score: 0.81	MMs01191322 tanimoto score: 0.81

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