MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: JI3
Name: N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-
1,2-DIAMINE
SMILES: Cc1cc(nc(c1)N)CC2CNCC2NCCNCc3ccc(cc3)Cl

[show PDB table]

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

Neutral Molecules: 41505Ionic States: 6805Tautomers: 7271Drug Similarity: 23

Items found 1 - 20 of 41505

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MMs00317634 tanimoto score: 0.88	MMs03523076 tanimoto score: 0.88	MMs02863674 tanimoto score: 0.86	MMs03778924 tanimoto score: 0.86
MMs02246441 tanimoto score: 0.86	MMs03696744 tanimoto score: 0.86	MMs03696685 tanimoto score: 0.86	MMs03667981 tanimoto score: 0.85
MMs03429401 tanimoto score: 0.85	MMs00824103 tanimoto score: 0.85	MMs03051500 tanimoto score: 0.85	MMs00738623 tanimoto score: 0.85
MMs01205426 tanimoto score: 0.85	MMs00586192 tanimoto score: 0.85	MMs00770013 tanimoto score: 0.85	MMs00824104 tanimoto score: 0.85
MMs01729385 tanimoto score: 0.85	MMs00825244 tanimoto score: 0.85	MMs00767600 tanimoto score: 0.84	MMs00495787 tanimoto score: 0.84