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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865287

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NEB2-DEOXY-D-STREPTAMINEA1NEM0.71
42B4-AMINO-2-HYDROXYBUTANOIC ACIDB1O9M0.74
THOREDUCED THREONINEA1SOC0.8
THOREDUCED THREONINEA2SOC0.8
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
A1E9W0.8
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
B1OLN0.8
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
C2JQ70.8
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.77
SEL2-AMINO-1,3-PROPANEDIOLD1D5X0.72
4HA4-HYDROXYBUTAN-1-AMINIUMA1S830.78
CYY2-DEOXYSTREPTAMINEA1QD30.71
GPEL-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINEA1A8B0.75
OXZTETRAHYDROOXAZINEA,B1W3J0.76
OXZTETRAHYDROOXAZINEA1W3K0.76
OXZTETRAHYDROOXAZINEA1W3L0.76
XDNPIPERIDINE-3,4,5-TRIOLA1V0K0.77
XDNPIPERIDINE-3,4,5-TRIOLA1V0M0.77
XDNPIPERIDINE-3,4,5-TRIOLA1FH70.77
FOP2-HYDROXY-PROPYL-AMMONIUMA1ID80.71
PA2PAROMOMYCIN (RING 2)B1O9M0.72
PA2PAROMOMYCIN (RING 2)A1PBR0.72
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.71
PY0(1S,2S)-1-amino-1,2-dihydroxypropan-
1-olate
A,B,C,D2W930.7
XIFPIPERIDINE-3,4-DIOLA1V0L0.75
XIFPIPERIDINE-3,4-DIOLA1V0N0.75
XIFPIPERIDINE-3,4-DIOLA1FH80.75
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.79
TX4L-THREONOHYDROXAMATE 4-PHOSPHATEA,B1Q6L0.74
TX4L-THREONOHYDROXAMATE 4-PHOSPHATEA,B1SO40.74
TX4L-THREONOHYDROXAMATE 4-PHOSPHATEA,B1SO50.74
TX4L-THREONOHYDROXAMATE 4-PHOSPHATEA,B1SO30.74
TX4L-THREONOHYDROXAMATE 4-PHOSPHATEA,B1SO60.74
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.77