MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: 356
Name: 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-
3,7-dihydro-1H-purine-2,6-dione
SMILES: CC#CCn1c2c(nc1N3CCCC(C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C

[show PDB table]

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

Neutral Molecules: 52050Ionic States: 6161Tautomers: 3524Drug Similarity: 12

Items found 1 - 20 of 52050

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MMs01316158 tanimoto score: 0.91	MMs03500438 tanimoto score: 0.91	MMs00854905 tanimoto score: 0.89	MMs03300768 tanimoto score: 0.89
MMs00321858 tanimoto score: 0.88	MMs01839125 tanimoto score: 0.88	MMs00321859 tanimoto score: 0.88	MMs02037356 tanimoto score: 0.88
MMs01932852 tanimoto score: 0.88	MMs00321803 tanimoto score: 0.88	MMs00407978 tanimoto score: 0.88	MMs01809313 tanimoto score: 0.88
MMs00192899 tanimoto score: 0.88	MMs01806785 tanimoto score: 0.88	MMs02037355 tanimoto score: 0.88	MMs00501012 tanimoto score: 0.88
MMs01678091 tanimoto score: 0.87	MMs01806019 tanimoto score: 0.87	MMs00707651 tanimoto score: 0.87	MMs00704611 tanimoto score: 0.87

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