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 141 - 160 of 27677

of 1384 Go to Page

MMs01678555 tanimoto score: 0.82	MMs00907731 tanimoto score: 0.82	MMs01707663 tanimoto score: 0.82	MMs00907733 tanimoto score: 0.82
MMs00907740 tanimoto score: 0.82	MMs02193648 tanimoto score: 0.82	MMs03650612 tanimoto score: 0.82	MMs02908995 tanimoto score: 0.82
MMs01619227 tanimoto score: 0.82	MMs02908993 tanimoto score: 0.82	MMs02804229 tanimoto score: 0.82	MMs01666696 tanimoto score: 0.82
MMs00554908 tanimoto score: 0.82	MMs02688494 tanimoto score: 0.82	MMs02865635 tanimoto score: 0.82	MMs01438496 tanimoto score: 0.82
MMs01438491 tanimoto score: 0.82	MMs01438493 tanimoto score: 0.82	MMs01390119 tanimoto score: 0.82	MMs00538718 tanimoto score: 0.82

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