MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: LIQ
Name: N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-
2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE
SMILES: CCCCCS(=O)(=O)CC(C(=O)NC(Cc1cc(cc(c1)F)F)
C(CNCc2cccc(c2)CC)O)NC(=O)c3cccnc3

[show PDB table]

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

Neutral Molecules: 8586Ionic States: 1999Tautomers: 1030Drug Similarity: 12

Items found 1 - 20 of 8586

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MMs00029523 tanimoto score: 0.82	MMs00029222 tanimoto score: 0.81	MMs00029225 tanimoto score: 0.81	MMs02421859 tanimoto score: 0.8
MMs00026988 tanimoto score: 0.8	MMs00037008 tanimoto score: 0.8	MMs02421861 tanimoto score: 0.8	MMs02421857 tanimoto score: 0.8
MMs02421863 tanimoto score: 0.8	MMs00256634 tanimoto score: 0.79	MMs00029245 tanimoto score: 0.79	MMs00256633 tanimoto score: 0.79
MMs00263920 tanimoto score: 0.79	MMs00029236 tanimoto score: 0.79	MMs00028915 tanimoto score: 0.79	MMs00256091 tanimoto score: 0.79
MMs00256090 tanimoto score: 0.79	MMs00029220 tanimoto score: 0.79	MMs00035411 tanimoto score: 0.79	MMs00028913 tanimoto score: 0.79

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