MMsINC Database Search
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Ligand PDB



ligand: 3IN
Name: N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-
(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-
PENTANAMIDE
SMILES: CC1CCC(C1NC(=O)C(Cc2ccccc2)CC(CN3CCN(CC3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(
CC5)C)O)O		[show PDB table]

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

Neutral Molecules: 1486Ionic States: 477Tautomers: 27Drug Similarity: 13 Items found 41 - 60 of 1486 



of 75    Go to Page   



MMs02502282
tanimoto score: 0.76
MMs02502288
tanimoto score: 0.76
MMs02383775
tanimoto score: 0.76
MMs03084598
tanimoto score: 0.76

MMs02292831
tanimoto score: 0.75
MMs02279397
tanimoto score: 0.75
MMs02328532
tanimoto score: 0.75
MMs02457383
tanimoto score: 0.75

MMs02328534
tanimoto score: 0.75
MMs02457385
tanimoto score: 0.75
MMs02457670
tanimoto score: 0.75
MMs00030557
tanimoto score: 0.75

MMs00030556
tanimoto score: 0.75
MMs02424291
tanimoto score: 0.75
MMs00030558
tanimoto score: 0.75
MMs00030559
tanimoto score: 0.75

MMs00243415
tanimoto score: 0.75
MMs02410606
tanimoto score: 0.75
MMs02422138
tanimoto score: 0.75
MMs02328536
tanimoto score: 0.75


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