MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: AAU
Name: (5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-
1,2,4-TRIAZEPAN-3-ONE
SMILES: COc1cc(ccc1O)CN2C(C(CN(N(C2=O)Cc3ccc(c(c3)OC)O)C(=O)CCc4ccc(cc4)O)O)Cc
5ccccc5

[show PDB table]

MMsINC molecules which have a Tanimoto coefficient superior or equal to 0.70

Neutral Molecules: 13853Ionic States: 3460Tautomers: 6948Drug Similarity: 17

Items found 1 - 20 of 13853

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MMs03077503 tanimoto score: 0.95	MMs03077317 tanimoto score: 0.84	MMs02943825 tanimoto score: 0.82	MMs00716222 tanimoto score: 0.82
MMs02943824 tanimoto score: 0.82	MMs03084796 tanimoto score: 0.82	MMs00716221 tanimoto score: 0.82	MMs00806184 tanimoto score: 0.81
MMs00806183 tanimoto score: 0.81	MMs02326878 tanimoto score: 0.81	MMs03084795 tanimoto score: 0.81	MMs02865084 tanimoto score: 0.81
MMs03077499 tanimoto score: 0.81	MMs00158814 tanimoto score: 0.8	MMs02414314 tanimoto score: 0.8	MMs02415152 tanimoto score: 0.8
MMs00213405 tanimoto score: 0.8	MMs00213411 tanimoto score: 0.8	MMs01785011 tanimoto score: 0.8	MMs01002930 tanimoto score: 0.8

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