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 41 - 60 of 27677

of 1384 Go to Page

MMs03407910 tanimoto score: 0.84	MMs02372331 tanimoto score: 0.84	MMs02310368 tanimoto score: 0.84	MMs02507289 tanimoto score: 0.84
MMs00772941 tanimoto score: 0.84	MMs02507286 tanimoto score: 0.84	MMs03407659 tanimoto score: 0.84	MMs02507296 tanimoto score: 0.84
MMs00887554 tanimoto score: 0.84	MMs02507298 tanimoto score: 0.84	MMs03199326 tanimoto score: 0.84	MMs01667054 tanimoto score: 0.84
MMs01667056 tanimoto score: 0.84	MMs03384668 tanimoto score: 0.84	MMs03756274 tanimoto score: 0.84	MMs02909928 tanimoto score: 0.83
MMs02909926 tanimoto score: 0.83	MMs02909932 tanimoto score: 0.83	MMs00652308 tanimoto score: 0.83	MMs02516008 tanimoto score: 0.83

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