MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: 1A2
Name: 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE
SMILES: C
CN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F

[show PDB table]

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

Neutral Molecules: 11070Ionic States: 1573Tautomers: 725Drug Similarity: 2

Items found 1 - 20 of 11070

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MMs03576494 tanimoto score: 0.85	MMs03123832 tanimoto score: 0.84	MMs03873620 tanimoto score: 0.84	MMs03873614 tanimoto score: 0.84
MMs01037015 tanimoto score: 0.83	MMs01037032 tanimoto score: 0.83	MMs01037028 tanimoto score: 0.83	MMs03873609 tanimoto score: 0.83
MMs03873615 tanimoto score: 0.83	MMs03162991 tanimoto score: 0.83	MMs02611559 tanimoto score: 0.83	MMs03873622 tanimoto score: 0.83
MMs00993439 tanimoto score: 0.83	MMs01037014 tanimoto score: 0.82	MMs01037013 tanimoto score: 0.82	MMs01135760 tanimoto score: 0.82
MMs01135461 tanimoto score: 0.82	MMs01135530 tanimoto score: 0.82	MMs01155642 tanimoto score: 0.82	MMs01130017 tanimoto score: 0.82