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 201 - 220 of 27677

of 1384 Go to Page

MMs03001222 tanimoto score: 0.82	MMs02351860 tanimoto score: 0.82	MMs01390121 tanimoto score: 0.82	MMs01438491 tanimoto score: 0.82
MMs01390119 tanimoto score: 0.82	MMs03001221 tanimoto score: 0.82	MMs01354384 tanimoto score: 0.82	MMs01354393 tanimoto score: 0.82
MMs01302341 tanimoto score: 0.81	MMs01317333 tanimoto score: 0.81	MMs02810428 tanimoto score: 0.81	MMs02810429 tanimoto score: 0.81
MMs02804230 tanimoto score: 0.81	MMs02733210 tanimoto score: 0.81	MMs02753239 tanimoto score: 0.81	MMs01283208 tanimoto score: 0.81
MMs01279664 tanimoto score: 0.81	MMs01283210 tanimoto score: 0.81	MMs02631390 tanimoto score: 0.81	MMs02631389 tanimoto score: 0.81

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