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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02486862

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.7
GRF5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINEA1ZLY0.73
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.73
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.73
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.72
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.75
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.75
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.75
N30(1R,2R,3S,4R,6S)-4,6-DIAMINO-2-
[(5-AMINO-5-DEOXY-BETA-D-RIBOFURANOSYL)OXY]-
3-HYDROXYCYCLOHEXYL 2-AMINO-2-DEOXY-
ALPHA-D-GLUCOPYRANOSIDE
B2O3X0.74
GCSD-GLUCOSAMINEA3CO40.74
GCSD-GLUCOSAMINEA1QGI0.74
GCSD-GLUCOSAMINEA,B2VZS0.74
GCSD-GLUCOSAMINEA1E9L0.74
GCSD-GLUCOSAMINEA,B,C,D3FXI0.74
GCSD-GLUCOSAMINEA,B2VZV0.74
NMYNEOMYCINA2B0Q0.72
NMYNEOMYCIN4,B2QP10.72
NMYNEOMYCINA,B2ET40.72
NMYNEOMYCINA,E,N2QAN0.72
NMYNEOMYCINA,B2FCY0.72
NMYNEOMYCINA2QP00.72
NMYNEOMYCINA1I9V0.72
NMYNEOMYCINA2QAL0.72
NMYNEOMYCIN4,B2QOZ0.72
NMYNEOMYCINA,C2A040.72
NMYNEOMYCINA1EI20.72
NMYNEOMYCINA,B3C7R0.72
NMYNEOMYCIN4,B2QAM0.72
NMYNEOMYCIN4,B2QAO0.72
NMYNEOMYCINA2QOY0.72
PA1PAROMOMYCIN (RING 1)A1PBR0.74
PA1PAROMOMYCIN (RING 1)A1QKC0.74
PA1PAROMOMYCIN (RING 1)A1QFG0.74
PA1PAROMOMYCIN (RING 1)A1FI10.74
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.74
PA1PAROMOMYCIN (RING 1)A1QFF0.74
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.73
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.73
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.78
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.78
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.78
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.78
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.78
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.75
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.72
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.74
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
B2F4S0.74
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,B2FCX0.74
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
B2ET80.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.73
RIORIBOSTAMYCINA,B1M4G0.74
RIORIBOSTAMYCINA,B3C3Z0.74
RIORIBOSTAMYCINA,B1S3Z0.74
RIORIBOSTAMYCINA,B,C,D2FCZ0.74
RIORIBOSTAMYCINA,B2ET50.74
RIORIBOSTAMYCINA,B3DVV0.74
RIORIBOSTAMYCINA2BUE0.74
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.72
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.73
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.73
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.73
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.74
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.74
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.74
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.74
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.74
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.74
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.75
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.75
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.75
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.74
B19N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-
3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-
D]PYRAN-3A-YL]METHYL}SULFAMIDE
A2H150.72
PARPAROMOMYCINA1FYP0.72
PARPAROMOMYCINV,Z2J020.72
PARPAROMOMYCINZ2UXD0.72
PARPAROMOMYCINA,D,N,Y,Z1N330.72
PARPAROMOMYCINV,Y,Z2WDM0.72
PARPAROMOMYCINY,Z2VQE0.72
PARPAROMOMYCINA,D,L,N1IBK0.72
PARPAROMOMYCINZ2UXB0.72
PARPAROMOMYCINY,Z2UU90.72
PARPAROMOMYCINZ2UXC0.72
PARPAROMOMYCINA,D,N,X1XMQ0.72
PARPAROMOMYCINB2O3W0.72
PARPAROMOMYCINV,Y,Z2WDG0.72
PARPAROMOMYCINA2Z4K0.72
PARPAROMOMYCIN4,B2Z4N0.72
PARPAROMOMYCINV,Y,Z2WDK0.72
PARPAROMOMYCINA,E2Z4M0.72
PARPAROMOMYCINA,B,C,D3BNQ0.72
PARPAROMOMYCINY,Z2UUB0.72
PARPAROMOMYCINA,D,H,N1FJG0.72
PARPAROMOMYCINA,B1J7T0.72
PARPAROMOMYCINY,Z2UUA0.72
PARPAROMOMYCINY,Z2UUC0.72
PARPAROMOMYCINA,D,J,N,X1XNQ0.72
PARPAROMOMYCINA,D,E,J,M,N,Y1N320.72
PARPAROMOMYCINA2VQY0.72
PARPAROMOMYCINA,B3C440.72
PARPAROMOMYCINV,Z2J000.72
PARPAROMOMYCIN4,B2Z4L0.72
PARPAROMOMYCINV,Y,Z2WDH0.72
PARPAROMOMYCINA,D,J,N,Y1IBL0.72
PARPAROMOMYCINA,B,C,D3BNR0.72
PARPAROMOMYCINA,D,J,N,X1XMO0.72
PARPAROMOMYCINY,Z2VQF0.72
PARPAROMOMYCINA,D,J,N,X1XNR0.72