MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: CNE
Name: (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-
D-VALYL]AMINO}-4-OXOPENTANOIC ACID
SMILES: CCOc1ccc(cc1CC(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)CSCc2c(cc
cc2Cl)F)C=CC(=O)OC

[show PDB table]

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

Neutral Molecules: 9576Ionic States: 5492Tautomers: 1967Drug Similarity: 13

Items found 21 - 40 of 9576

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MMs00559584 tanimoto score: 0.79	MMs00559582 tanimoto score: 0.79	MMs00538613 tanimoto score: 0.79	MMs00538569 tanimoto score: 0.79
MMs00538491 tanimoto score: 0.79	MMs01580955 tanimoto score: 0.79	MMs00538573 tanimoto score: 0.79	MMs00538571 tanimoto score: 0.79
MMs00030185 tanimoto score: 0.79	MMs00560791 tanimoto score: 0.79	MMs00420453 tanimoto score: 0.79	MMs00538685 tanimoto score: 0.79
MMs00717644 tanimoto score: 0.79	MMs00568523 tanimoto score: 0.78	MMs00420455 tanimoto score: 0.78	MMs00499179 tanimoto score: 0.78
MMs00499177 tanimoto score: 0.78	MMs00559612 tanimoto score: 0.78	MMs00568525 tanimoto score: 0.78	MMs00539114 tanimoto score: 0.78

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