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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02404903

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PA2PAROMOMYCIN (RING 2)B1O9M0.94
PA2PAROMOMYCIN (RING 2)A1PBR0.94
NEB2-DEOXY-D-STREPTAMINEA1NEM0.88
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.77
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
A1FQ60.72
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
I,J1PSA0.72
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
E,I1EPQ0.72
AZFAZAFAGOMINEA,B2J7H0.71
AZK(S)-2-AMINO-6-AZIDOHEXANOIC ACIDA,B2AHP0.7
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.73
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.73
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.73
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.73
CYY2-DEOXYSTREPTAMINEA1QD30.88
GCSD-GLUCOSAMINEA3CO40.73
GCSD-GLUCOSAMINEA1QGI0.73
GCSD-GLUCOSAMINEA,B2VZS0.73
GCSD-GLUCOSAMINEA1E9L0.73
GCSD-GLUCOSAMINEA,B,C,D3FXI0.73
GCSD-GLUCOSAMINEA,B2VZV0.73
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.92
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.73
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.71
PA1PAROMOMYCIN (RING 1)A1PBR0.73
PA1PAROMOMYCIN (RING 1)A1QKC0.73
PA1PAROMOMYCIN (RING 1)A1QFG0.73
PA1PAROMOMYCIN (RING 1)A1FI10.73
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.73
PA1PAROMOMYCIN (RING 1)A1QFF0.73
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.73
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.74
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.79
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.73
OXZTETRAHYDROOXAZINEA,B1W3J0.73
OXZTETRAHYDROOXAZINEA1W3K0.73
OXZTETRAHYDROOXAZINEA1W3L0.73
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.73
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.73
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.73
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.73
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.73
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.73
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.73
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.87
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVM0.73
2AO(2S)-2-AMINOHEXAN-1-OLA,I2O400.73
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOD0.73
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVQ0.73
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOC0.73
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.77
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.72
NOJ1-DEOXYNOJIRIMYCINA,B2J770.72
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.72
NOJ1-DEOXYNOJIRIMYCINA3GBE0.72
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.72
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.72
NOJ1-DEOXYNOJIRIMYCINA1DOG0.72
NOJ1-DEOXYNOJIRIMYCINA,B1I750.72
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.72
GE23,5-DIAMINO-CYCLOHEXANOLA1BYJ0.88
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.72
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.72
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.72
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.72