MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: IBA
Name: 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
SMILES: C
CC(CC)Nc1cc(ccc1N2C(=O)CCC2(CN)CO)C(=O)O

[show PDB table]

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

Neutral Molecules: 46717Ionic States: 10879Tautomers: 1971Drug Similarity: 31

Items found 1 - 20 of 46717

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MMs03030900 tanimoto score: 1	MMs02626324 tanimoto score: 0.99	MMs03206323 tanimoto score: 0.9	MMs03016958 tanimoto score: 0.9
MMs00203209 tanimoto score: 0.9	MMs00708279 tanimoto score: 0.89	MMs00349458 tanimoto score: 0.89	MMs00349455 tanimoto score: 0.89
MMs03783085 tanimoto score: 0.89	MMs03016957 tanimoto score: 0.89	MMs02756969 tanimoto score: 0.88	MMs00126619 tanimoto score: 0.88
MMs01075043 tanimoto score: 0.88	MMs02756968 tanimoto score: 0.88	MMs02756967 tanimoto score: 0.88	MMs02865611 tanimoto score: 0.88
MMs02165092 tanimoto score: 0.88	MMs02756966 tanimoto score: 0.88	MMs01720551 tanimoto score: 0.88	MMs00019450 tanimoto score: 0.88