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 321 - 340 of 27677

of 1384 Go to Page

MMs01263320 tanimoto score: 0.81	MMs02753239 tanimoto score: 0.81	MMs01243241 tanimoto score: 0.81	MMs01179789 tanimoto score: 0.81
MMs01180537 tanimoto score: 0.81	MMs02631389 tanimoto score: 0.81	MMs02631390 tanimoto score: 0.81	MMs01178456 tanimoto score: 0.81
MMs02507279 tanimoto score: 0.81	MMs01569294 tanimoto score: 0.81	MMs01178577 tanimoto score: 0.81	MMs02372267 tanimoto score: 0.81
MMs01087801 tanimoto score: 0.8	MMs00887382 tanimoto score: 0.8	MMs02248027 tanimoto score: 0.8	MMs00887381 tanimoto score: 0.8
MMs00887492 tanimoto score: 0.8	MMs02263602 tanimoto score: 0.8	MMs00339325 tanimoto score: 0.8	MMs02246180 tanimoto score: 0.8

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