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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201727

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.75
4HA4-HYDROXYBUTAN-1-AMINIUMA1S830.73
XDNPIPERIDINE-3,4,5-TRIOLA1V0K0.73
XDNPIPERIDINE-3,4,5-TRIOLA1V0M0.73
XDNPIPERIDINE-3,4,5-TRIOLA1FH70.73
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
A1E9W0.71
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
B1OLN0.71
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
C2JQ70.71
OXZTETRAHYDROOXAZINEA,B1W3J0.71
OXZTETRAHYDROOXAZINEA1W3K0.71
OXZTETRAHYDROOXAZINEA1W3L0.71
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.73
42B4-AMINO-2-HYDROXYBUTANOIC ACIDB1O9M0.7
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.74
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.73
XIFPIPERIDINE-3,4-DIOLA1V0L0.74
XIFPIPERIDINE-3,4-DIOLA1V0N0.74
XIFPIPERIDINE-3,4-DIOLA1FH80.74
CYY2-DEOXYSTREPTAMINEA1QD30.74
PA2PAROMOMYCIN (RING 2)B1O9M0.78
PA2PAROMOMYCIN (RING 2)A1PBR0.78
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.8
NEB2-DEOXY-D-STREPTAMINEA1NEM0.74
GE23,5-DIAMINO-CYCLOHEXANOLA1BYJ0.71