MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: CY7
Name: S-{(1S)-3-{[(4Z)-4-{[3-CHLORO-4-(PYRIDIN-2-YLMETHOXY)PHENYL]IMINO}-3-CYANO-7-ETHOXY-1,4-DIHYDROQUINOLIN-
6-YL]AMINO}-1-[(DIMETHYLAMINO)METHYL]-3-OXOPROPYL}-L-CYSTEINE
SMILES: CCOc1cc2c(cc1NC(=O)CC(CN(C)C)S
CC(C(=O)O)N)C(=Nc3ccc(c(c3)Cl)OCc4ccccn4)C(=CN2)C#N

[show PDB table]

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

Neutral Molecules: 2440Ionic States: 214Tautomers: 40Drug Similarity: 0

Items found 1 - 20 of 2440

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MMs02966068 tanimoto score: 0.81	MMs02965964 tanimoto score: 0.81	MMs02711524 tanimoto score: 0.8	MMs02965872 tanimoto score: 0.79
MMs00897540 tanimoto score: 0.79	MMs02966274 tanimoto score: 0.78	MMs01993772 tanimoto score: 0.78	MMs02966317 tanimoto score: 0.77
MMs02966208 tanimoto score: 0.77	MMs02966394 tanimoto score: 0.77	MMs02741494 tanimoto score: 0.77	MMs00434665 tanimoto score: 0.77
MMs02741493 tanimoto score: 0.77	MMs02966206 tanimoto score: 0.77	MMs02966059 tanimoto score: 0.77	MMs01061101 tanimoto score: 0.77
MMs02965956 tanimoto score: 0.77	MMs02965870 tanimoto score: 0.77	MMs00185527 tanimoto score: 0.76	MMs00531145 tanimoto score: 0.76

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