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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01616707

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KCQ(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-
2-ONE
A,I2Z3E0.71
C1R4-PIPERIDINEBUTYRATEA2FX40.77
C1R4-PIPERIDINEBUTYRATEA,B,C,D2FWW0.77
TCOTERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATEA1Q6K0.72
RHS3-(CARBOXYAMIDE(2-CARBOXYAMIDE-
2-TERTBUTYLETHYL))PENTAN
A1JLD0.73
VPR2-PROPYLPENTANAMIDEA,B2CJP0.71
VPR2-PROPYLPENTANAMIDEA,B1NU30.71
1AD(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-
5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-
1-CYCLOPENTYL-2-OXOETHANAMINE
A2GBG0.71
LDM3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDEA1OKC0.73
RIN3-AMINO-AZACYCLOTRIDECAN-2-ONEA,B1KBC0.75
277N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-
3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-
3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE
A,B2OPH0.75
ICCazepan-2-oneA,B2ZUK0.7