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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02412412

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.73
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.73
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.73
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.83
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.78
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.86
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.73
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.72
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.72
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.76
PA1PAROMOMYCIN (RING 1)A1PBR0.75
PA1PAROMOMYCIN (RING 1)A1QKC0.75
PA1PAROMOMYCIN (RING 1)A1QFG0.75
PA1PAROMOMYCIN (RING 1)A1FI10.75
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.75
PA1PAROMOMYCIN (RING 1)A1QFF0.75
GCSD-GLUCOSAMINEA3CO40.75
GCSD-GLUCOSAMINEA1QGI0.75
GCSD-GLUCOSAMINEA,B2VZS0.75
GCSD-GLUCOSAMINEA1E9L0.75
GCSD-GLUCOSAMINEA,B,C,D3FXI0.75
GCSD-GLUCOSAMINEA,B2VZV0.75
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.7
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.78
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.87
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.81
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.7
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.71
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.71
OXZTETRAHYDROOXAZINEA,B1W3J0.75
OXZTETRAHYDROOXAZINEA1W3K0.75
OXZTETRAHYDROOXAZINEA1W3L0.75
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.75
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
CYY2-DEOXYSTREPTAMINEA1QD30.84
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.82
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.83
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
IMRIMINORIBITOLA,B,C1I800.72
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.72
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.78
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.7
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.75
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.75
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.75
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.75
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.75
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.75
PA2PAROMOMYCIN (RING 2)B1O9M0.85
PA2PAROMOMYCIN (RING 2)A1PBR0.85
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.73
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.73
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.73
NEB2-DEOXY-D-STREPTAMINEA1NEM0.84
AZFAZAFAGOMINEA,B2J7H0.73
CGFC-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4G0.74
GE23,5-DIAMINO-CYCLOHEXANOLA1BYJ0.76
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.82
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.82
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.82
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.82