MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: XN1
Name: N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-
2-(1-PHENYLETHYL)-PENTANAMIDE
SMILES: CC(c1ccccc1)C(CC(CN2CCN(CC2C(=O)NC(C)(C)C)Cc3cccnc3)O)C(=O)NC4
c5ccccc5CC4O

[show PDB table]

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

Neutral Molecules: 12906Ionic States: 5761Tautomers: 3583Drug Similarity: 20

Items found 1 - 20 of 12906

of 646 Go to Page

MMs02381919 tanimoto score: 1	MMs01726842 tanimoto score: 1	MMs01726844 tanimoto score: 1	MMs00008071 tanimoto score: 0.87
MMs00008073 tanimoto score: 0.87	MMs02547232 tanimoto score: 0.85	MMs02543567 tanimoto score: 0.85	MMs00008065 tanimoto score: 0.84
MMs00008063 tanimoto score: 0.84	MMs02616776 tanimoto score: 0.83	MMs02616323 tanimoto score: 0.83	MMs00028923 tanimoto score: 0.83
MMs00025925 tanimoto score: 0.82	MMs00028925 tanimoto score: 0.82	MMs02616779 tanimoto score: 0.82	MMs02616326 tanimoto score: 0.82
MMs00028585 tanimoto score: 0.82	MMs00028584 tanimoto score: 0.82	MMs00028915 tanimoto score: 0.81	MMs00028916 tanimoto score: 0.81

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