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 61 - 80 of 27677

of 1384 Go to Page

MMs02125420 tanimoto score: 0.83	MMs01101910 tanimoto score: 0.83	MMs01083856 tanimoto score: 0.83	MMs03341328 tanimoto score: 0.83
MMs03425748 tanimoto score: 0.83	MMs00701944 tanimoto score: 0.83	MMs03087215 tanimoto score: 0.83	MMs03159369 tanimoto score: 0.83
MMs02947166 tanimoto score: 0.83	MMs00941472 tanimoto score: 0.83	MMs02916007 tanimoto score: 0.83	MMs02909934 tanimoto score: 0.83
MMs02917069 tanimoto score: 0.83	MMs01681566 tanimoto score: 0.83	MMs02947160 tanimoto score: 0.83	MMs03218397 tanimoto score: 0.83
MMs00671496 tanimoto score: 0.83	MMs00671495 tanimoto score: 0.83	MMs01456591 tanimoto score: 0.83	MMs00283199 tanimoto score: 0.83

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