MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: VG5
Name: N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-
3-(ethylamino)-5-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)benzamide
SMILES: CCNc1cc(cc(c1)N2C=CCC2=O)C(=O)N
C(Cc3ccccc3)C(CNC(C)C(=O)NC4CCCCC4)O

[show PDB table]

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

Neutral Molecules: 49675Ionic States: 9385Tautomers: 3033Drug Similarity: 39

Items found 1 - 20 of 49675

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MMs02477909 tanimoto score: 0.86	MMs02372747 tanimoto score: 0.84	MMs03852681 tanimoto score: 0.83	MMs03840497 tanimoto score: 0.83
MMs00187509 tanimoto score: 0.83	MMs03478129 tanimoto score: 0.83	MMs03478137 tanimoto score: 0.83	MMs00382503 tanimoto score: 0.83
MMs03717990 tanimoto score: 0.83	MMs03717992 tanimoto score: 0.83	MMs03478151 tanimoto score: 0.83	MMs03840500 tanimoto score: 0.83
MMs03852682 tanimoto score: 0.83	MMs03948931 tanimoto score: 0.83	MMs03840498 tanimoto score: 0.83	MMs00231048 tanimoto score: 0.83
MMs00644711 tanimoto score: 0.82	MMs00382509 tanimoto score: 0.82	MMs01283133 tanimoto score: 0.82	MMs00485443 tanimoto score: 0.82

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