MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: ROC
Name: N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-
2-hydroxypropyl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide
SMILES: CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C
(Cc3ccccc3)NC(=O)C(CC(=O)N)NC(=O)c4ccc5ccccc5n4)O

[show PDB table]

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

Neutral Molecules: 27677Ionic States: 6388Tautomers: 789Drug Similarity: 15

Items found 181 - 200 of 27677

of 1384 Go to Page

MMs00076616 tanimoto score: 0.82	MMs00941464 tanimoto score: 0.82	MMs00907738 tanimoto score: 0.82	MMs01354384 tanimoto score: 0.82
MMs03650613 tanimoto score: 0.82	MMs01354393 tanimoto score: 0.82	MMs03678627 tanimoto score: 0.82	MMs01308842 tanimoto score: 0.82
MMs02865635 tanimoto score: 0.82	MMs02908993 tanimoto score: 0.82	MMs02804229 tanimoto score: 0.82	MMs00887487 tanimoto score: 0.82
MMs01296737 tanimoto score: 0.82	MMs02908995 tanimoto score: 0.82	MMs02688491 tanimoto score: 0.82	MMs00887250 tanimoto score: 0.82
MMs02688492 tanimoto score: 0.82	MMs02193651 tanimoto score: 0.82	MMs00076618 tanimoto score: 0.82	MMs02688493 tanimoto score: 0.82

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