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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02221655

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.7
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.7
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.7
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.7
PA2PAROMOMYCIN (RING 2)B1O9M0.79
PA2PAROMOMYCIN (RING 2)A1PBR0.79
GE13,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACTOPYRANOSEA1BYJ0.76
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1HRN0.7
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA1EAG0.7
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1BIM0.7
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1BIL0.7
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.77
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.7
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.75
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.7
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.7
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.7
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.74
THOREDUCED THREONINEA1SOC0.76
THOREDUCED THREONINEA2SOC0.76
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVM0.8
2AO(2S)-2-AMINOHEXAN-1-OLA,I2O400.8
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOD0.8
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVQ0.8
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOC0.8
AZK(S)-2-AMINO-6-AZIDOHEXANOIC ACIDA,B2AHP0.77
CYY2-DEOXYSTREPTAMINEA1QD30.85
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.7
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.71
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.71
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.83
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.74
GE23,5-DIAMINO-CYCLOHEXANOLA1BYJ0.8
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.74
NOJ1-DEOXYNOJIRIMYCINA,B2J770.74
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.74
NOJ1-DEOXYNOJIRIMYCINA3GBE0.74
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.74
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.74
NOJ1-DEOXYNOJIRIMYCINA1DOG0.74
NOJ1-DEOXYNOJIRIMYCINA,B1I750.74
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.74
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.74
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.74
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.74
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.74
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.7
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.7
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.7
LYZ5-HYDROXYLYSINEA,B,C,D1QGW0.71
LYZ5-HYDROXYLYSINEA,B,C,D1XG00.71
LYZ5-HYDROXYLYSINEA,B,C,D1XF60.71
LYZ5-HYDROXYLYSINEA,B,C1YGV0.71
LYZ5-HYDROXYLYSINEA,B,C1Y0F0.71
NEB2-DEOXY-D-STREPTAMINEA1NEM0.85
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.7