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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02415038

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.7
DXN(1R,3S,4R)-4-(PHOSPHOOXYMETHYL)-
CYCLOPENTANE-1,3-DIOL
A1XCZ0.7
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A,B,C,D,E,F2I140.71
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A,B,C,D1A960.71
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A,B,C,D1P4A0.71
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A,B,C,D1A950.71
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A,B1ECC0.71
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A1YTE0.71
CAK[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATEA,B2GRU0.86
RNTL-RHAMNITOLA,B,C,D1DE50.74
SORD-SORBITOLA1FQA0.76
SORD-SORBITOLA,B,C,D3XIM0.76
SORD-SORBITOLA2VFT0.76
SORD-SORBITOLA,B,C,D5XIM0.76
SORD-SORBITOLA3BRF0.76
SORD-SORBITOLA1XIH0.76
SORD-SORBITOLA2DXR0.76
SORD-SORBITOLA1D8C0.76
SORD-SORBITOLA,B,C,D2XIN0.76
SORD-SORBITOLA1FQB0.76
SORD-SORBITOLA,B4XIA0.76
DXD(1S,3S,4R)-4-(PHOSPHOOXYMETHYL)-
CYCLOPENTANE-1,3-DIOL
A1XCY0.7
CBU(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-
1,2,3,4,5,6-HEXOL
A,B2VT00.81
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA3BXD0.81
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1IEV0.81
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1PTG0.81
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C2OS90.81
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C,D2R710.81
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1G0I0.81
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA2HUO0.81
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1Y7V0.81
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1AOD0.81
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B3EA20.81
OPGOXIRANPSEUDOGLUCOSEA6CGT0.8
H1Mmethyl 2-deoxy-2-(2-hydroxyethyl)-
alpha-D-mannopyranoside
A,B,C,D3D4K0.73
ASO1,5-ANHYDROSORBITOLA1XIE0.72
ASO1,5-ANHYDROSORBITOLA3GUH0.72
ASO1,5-ANHYDROSORBITOLA,B2ASV0.72
ASO1,5-ANHYDROSORBITOLH,L2EC90.72
YLL(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-
1,2,3,4,5-PENTOL
A,B2JAL1
DFR3-DEOXY-3-METHYL-D-FRUCTOSEA9XIA0.73
FOCFUCITOLA,B,C,D,E,F1FUI0.74
MTLD-MANNITOLA,B1ZZU0.76
MTLD-MANNITOLA,B1ZZQ0.76
MTLD-MANNITOLA,B1M2W0.76
MTLD-MANNITOLA2VFU0.76
CIPINOSITOL-2-METHYLENE-1,2-CYCLIC-
MONOPHOSPHATE
A,B1DJW0.78