MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: BIA
Name: 1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE
SMILES: c
1cc(cc(c1)N2CCN(CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])C(F)(F)F

[show PDB table]

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

Neutral Molecules: 3798Ionic States: 619Tautomers: 493Drug Similarity: 1

Items found 1 - 20 of 3798

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MMs03231986 tanimoto score: 0.86	MMs02125293 tanimoto score: 0.86	MMs01724975 tanimoto score: 0.85	MMs00848153 tanimoto score: 0.85
MMs01591854 tanimoto score: 0.84	MMs01634141 tanimoto score: 0.84	MMs01634094 tanimoto score: 0.83	MMs01591682 tanimoto score: 0.82
MMs00291503 tanimoto score: 0.82	MMs03676917 tanimoto score: 0.82	MMs03239341 tanimoto score: 0.81	MMs01591699 tanimoto score: 0.81
MMs01722951 tanimoto score: 0.8	MMs01394254 tanimoto score: 0.8	MMs00817815 tanimoto score: 0.8	MMs01660407 tanimoto score: 0.8
MMs01634139 tanimoto score: 0.8	MMs00756234 tanimoto score: 0.8	MMs00669009 tanimoto score: 0.8	MMs03523648 tanimoto score: 0.8