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 1 - 20 of 27677

of 1384 Go to Page

MMs02381886 tanimoto score: 0.95	MMs03852801 tanimoto score: 0.88	MMs03883053 tanimoto score: 0.88	MMs03852792 tanimoto score: 0.88
MMs03883049 tanimoto score: 0.88	MMs03894518 tanimoto score: 0.87	MMs03894517 tanimoto score: 0.87	MMs02310370 tanimoto score: 0.86
MMs03860499 tanimoto score: 0.86	MMs03860486 tanimoto score: 0.86	MMs02989457 tanimoto score: 0.86	MMs03678720 tanimoto score: 0.85
MMs03756278 tanimoto score: 0.85	MMs03678722 tanimoto score: 0.85	MMs03532774 tanimoto score: 0.85	MMs03756276 tanimoto score: 0.85
MMs03532775 tanimoto score: 0.85	MMs02507283 tanimoto score: 0.84	MMs00870722 tanimoto score: 0.84	MMs02507286 tanimoto score: 0.84

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