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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03471404

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AZK(S)-2-AMINO-6-AZIDOHEXANOIC ACIDA,B2AHP0.73
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.78
GCSD-GLUCOSAMINEA3CO40.72
GCSD-GLUCOSAMINEA1QGI0.72
GCSD-GLUCOSAMINEA,B2VZS0.72
GCSD-GLUCOSAMINEA1E9L0.72
GCSD-GLUCOSAMINEA,B,C,D3FXI0.72
GCSD-GLUCOSAMINEA,B2VZV0.72
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.98
PA1PAROMOMYCIN (RING 1)A1PBR0.72
PA1PAROMOMYCIN (RING 1)A1QKC0.72
PA1PAROMOMYCIN (RING 1)A1QFG0.72
PA1PAROMOMYCIN (RING 1)A1FI10.72
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.72
PA1PAROMOMYCIN (RING 1)A1QFF0.72
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.92
NEB2-DEOXY-D-STREPTAMINEA1NEM0.94
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
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.71
NOJ1-DEOXYNOJIRIMYCINA,B2J770.71
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.71
NOJ1-DEOXYNOJIRIMYCINA3GBE0.71
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.71
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.71
NOJ1-DEOXYNOJIRIMYCINA1DOG0.71
NOJ1-DEOXYNOJIRIMYCINA,B1I750.71
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.71
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
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.71
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.71
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.71
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.71
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.76
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.73
CYY2-DEOXYSTREPTAMINEA1QD30.94
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVM0.72
2AO(2S)-2-AMINOHEXAN-1-OLA,I2O400.72
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOD0.72
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVQ0.72
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOC0.72
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.73
PA2PAROMOMYCIN (RING 2)B1O9M1
PA2PAROMOMYCIN (RING 2)A1PBR1
GE13,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACTOPYRANOSEA1BYJ0.7
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.76
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
A1FQ60.71
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
I,J1PSA0.71
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
E,I1EPQ0.71
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.72
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.72
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.72
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.72
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.72
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.72
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.72
GE23,5-DIAMINO-CYCLOHEXANOLA1BYJ0.9
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
XXX(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-
4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-
5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-
2H-PYRAN-3,4-DIOL
B2F4S0.7
XXX(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-
4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-
5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-
2H-PYRAN-3,4-DIOL
A,B2FCX0.7
XXX(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-
4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-
5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-
2H-PYRAN-3,4-DIOL
B2ET80.7
OXZTETRAHYDROOXAZINEA,B1W3J0.72
OXZTETRAHYDROOXAZINEA1W3K0.72
OXZTETRAHYDROOXAZINEA1W3L0.72
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.72
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.71
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.71
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.72
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.7
AZFAZAFAGOMINEA,B2J7H0.73