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 21 - 40 of 1486 



of 75    Go to Page   



MMs02229595
tanimoto score: 0.76

MMs03084598
tanimoto score: 0.76

MMs02233025
tanimoto score: 0.76

MMs02502288
tanimoto score: 0.76

MMs02502289
tanimoto score: 0.76

MMs03134287
tanimoto score: 0.76

MMs03134284
tanimoto score: 0.76

MMs02328546
tanimoto score: 0.76

MMs02502282
tanimoto score: 0.76

MMs02369718
tanimoto score: 0.76

MMs02410713
tanimoto score: 0.76

MMs02502283
tanimoto score: 0.76

MMs02383779
tanimoto score: 0.76

MMs02383777
tanimoto score: 0.76

MMs02392322
tanimoto score: 0.76

MMs02383773
tanimoto score: 0.76

MMs02442504
tanimoto score: 0.76

MMs02502281
tanimoto score: 0.76

MMs02221158
tanimoto score: 0.76

MMs02383775
tanimoto score: 0.76


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