MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: XIH
Name: 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE
SMILES: C
N1c2c(n(c(n2)N3CCCC(C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C

[show PDB table]

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

Neutral Molecules: 30547Ionic States: 3578Tautomers: 1545Drug Similarity: 4

Items found 1 - 20 of 30547

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MMs00325314 tanimoto score: 0.96	MMs00325186 tanimoto score: 0.95	MMs00325240 tanimoto score: 0.95	MMs02039904 tanimoto score: 0.95
MMs02073321 tanimoto score: 0.95	MMs00325170 tanimoto score: 0.95	MMs00327552 tanimoto score: 0.95	MMs00325238 tanimoto score: 0.95
MMs01844188 tanimoto score: 0.95	MMs02073313 tanimoto score: 0.95	MMs00406866 tanimoto score: 0.95	MMs00265787 tanimoto score: 0.95
MMs00325220 tanimoto score: 0.95	MMs00325198 tanimoto score: 0.95	MMs00413314 tanimoto score: 0.94	MMs00410187 tanimoto score: 0.94
MMs00666083 tanimoto score: 0.94	MMs00063470 tanimoto score: 0.94	MMs00879687 tanimoto score: 0.94	MMs01884532 tanimoto score: 0.94

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