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 421 - 440 of 27677

of 1384 Go to Page

MMs00827969 tanimoto score: 0.8	MMs00263301 tanimoto score: 0.8	MMs00907742 tanimoto score: 0.8	MMs02511505 tanimoto score: 0.8
MMs01285608 tanimoto score: 0.8	MMs02615811 tanimoto score: 0.8	MMs01289158 tanimoto score: 0.8	MMs01289675 tanimoto score: 0.8
MMs00907726 tanimoto score: 0.8	MMs01289159 tanimoto score: 0.8	MMs02720088 tanimoto score: 0.8	MMs02872839 tanimoto score: 0.8
MMs00716356 tanimoto score: 0.8	MMs00127513 tanimoto score: 0.8	MMs01180541 tanimoto score: 0.8	MMs01180540 tanimoto score: 0.8
MMs00716250 tanimoto score: 0.8	MMs00716251 tanimoto score: 0.8	MMs01179669 tanimoto score: 0.8	MMs00495749 tanimoto score: 0.8

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