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 101 - 120 of 27677

of 1384 Go to Page

MMs02909932 tanimoto score: 0.83	MMs02909934 tanimoto score: 0.83	MMs02909926 tanimoto score: 0.83	MMs00671496 tanimoto score: 0.83
MMs02909928 tanimoto score: 0.83	MMs01321540 tanimoto score: 0.83	MMs02916007 tanimoto score: 0.83	MMs01650220 tanimoto score: 0.83
MMs00858549 tanimoto score: 0.83	MMs00887896 tanimoto score: 0.83	MMs00671495 tanimoto score: 0.83	MMs02917069 tanimoto score: 0.83
MMs03512375 tanimoto score: 0.83	MMs03756277 tanimoto score: 0.83	MMs00076617 tanimoto score: 0.82	MMs02688494 tanimoto score: 0.82
MMs02804229 tanimoto score: 0.82	MMs02865635 tanimoto score: 0.82	MMs01438491 tanimoto score: 0.82	MMs01438493 tanimoto score: 0.82

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