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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03129845

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RIORIBOSTAMYCINA,B1M4G0.81
RIORIBOSTAMYCINA,B3C3Z0.81
RIORIBOSTAMYCINA,B1S3Z0.81
RIORIBOSTAMYCINA,B,C,D2FCZ0.81
RIORIBOSTAMYCINA,B2ET50.81
RIORIBOSTAMYCINA,B3DVV0.81
RIORIBOSTAMYCINA2BUE0.81
GP4GLUCOSAMINE 4-PHOSPHATEA1FCP0.7
GP4GLUCOSAMINE 4-PHOSPHATEA,B,C1Q9W0.7
GP4GLUCOSAMINE 4-PHOSPHATEA2FCP0.7
GCSD-GLUCOSAMINEA3CO40.77
GCSD-GLUCOSAMINEA1QGI0.77
GCSD-GLUCOSAMINEA,B2VZS0.77
GCSD-GLUCOSAMINEA1E9L0.77
GCSD-GLUCOSAMINEA,B,C,D3FXI0.77
GCSD-GLUCOSAMINEA,B2VZV0.77
PA1PAROMOMYCIN (RING 1)A1PBR0.77
PA1PAROMOMYCIN (RING 1)A1QKC0.77
PA1PAROMOMYCIN (RING 1)A1QFG0.77
PA1PAROMOMYCIN (RING 1)A1FI10.77
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.77
PA1PAROMOMYCIN (RING 1)A1QFF0.77
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.76
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.76
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.76
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.76
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.76
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.76
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.76
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.76
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.76
JS4A,B2BEE0.74
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.74
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.74
GP1GLUCOSAMINE 1-PHOSPHATEA,B,C1Q9W0.7
GP1GLUCOSAMINE 1-PHOSPHATEA,B2OI60.7
GP1GLUCOSAMINE 1-PHOSPHATEA2FCP0.7
GP1GLUCOSAMINE 1-PHOSPHATEA1FCP0.7
GP1GLUCOSAMINE 1-PHOSPHATEA1UJW0.7
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
B2F4S0.82
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,B2FCX0.82
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
B2ET80.82
SGNN,O6-DISULFO-GLUCOSAMINEA,B1FQ90.7
SGNN,O6-DISULFO-GLUCOSAMINEB2AXM0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B1GMN0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B1T8U0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1BFB0.7
SGNN,O6-DISULFO-GLUCOSAMINEB,D,F,H1XMN0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F,
G,H
1GMO0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F1AXM0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1XT30.7
SGNN,O6-DISULFO-GLUCOSAMINE11QQP0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B1RID0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1G5N0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B2BRS0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1HPN0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1ZA40.7
SGNN,O6-DISULFO-GLUCOSAMINE11ZBA0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1BFC0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D2VRA0.7
SGNN,O6-DISULFO-GLUCOSAMINEA2HYV0.7
SGNN,O6-DISULFO-GLUCOSAMINEH,I3B9F0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B3DY00.7
SGNN,O6-DISULFO-GLUCOSAMINEA2HYU0.7
SGNN,O6-DISULFO-GLUCOSAMINEB,C,D,E1E0O0.7
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.76
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.76
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.76
KANKANAMYCIN AA1L8T0.77
KANKANAMYCIN AA,B1M4I0.77
KANKANAMYCIN AA,B1ND40.77
KANKANAMYCIN AA,B1KNY0.77
KANKANAMYCIN AA,B2ESI0.77
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL
4,B2QBK0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL
A2QBH0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL
4,B2QBI0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL
A,B2ET30.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL
A,E2QBJ0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL
A2QB90.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL
4,B2QBC0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL
4,B2QBA0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL
A,N2QBB0.71
MURMURAMIC ACIDA,C,E,G1LOD0.71
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.78
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.78
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.78
GNSN-SULFO-ALPHA-D-GLUCOSAMINEA2ERM0.71
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.74
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.74
PARPAROMOMYCINA1FYP0.79
PARPAROMOMYCINV,Z2J020.79
PARPAROMOMYCINZ2UXD0.79
PARPAROMOMYCINA,D,N,Y,Z1N330.79
PARPAROMOMYCINV,Y,Z2WDM0.79
PARPAROMOMYCINY,Z2VQE0.79
PARPAROMOMYCINA,D,L,N1IBK0.79
PARPAROMOMYCINZ2UXB0.79
PARPAROMOMYCINY,Z2UU90.79
PARPAROMOMYCINZ2UXC0.79
PARPAROMOMYCINA,D,N,X1XMQ0.79
PARPAROMOMYCINB2O3W0.79
PARPAROMOMYCINV,Y,Z2WDG0.79
PARPAROMOMYCINA2Z4K0.79
PARPAROMOMYCIN4,B2Z4N0.79
PARPAROMOMYCINV,Y,Z2WDK0.79
PARPAROMOMYCINA,E2Z4M0.79
PARPAROMOMYCINA,B,C,D3BNQ0.79
PARPAROMOMYCINY,Z2UUB0.79
PARPAROMOMYCINA,D,H,N1FJG0.79
PARPAROMOMYCINA,B1J7T0.79
PARPAROMOMYCINY,Z2UUA0.79
PARPAROMOMYCINY,Z2UUC0.79
PARPAROMOMYCINA,D,J,N,X1XNQ0.79
PARPAROMOMYCINA,D,E,J,M,N,Y1N320.79
PARPAROMOMYCINA2VQY0.79
PARPAROMOMYCINA,B3C440.79
PARPAROMOMYCINV,Z2J000.79
PARPAROMOMYCIN4,B2Z4L0.79
PARPAROMOMYCINV,Y,Z2WDH0.79
PARPAROMOMYCINA,D,J,N,Y1IBL0.79
PARPAROMOMYCINA,B,C,D3BNR0.79
PARPAROMOMYCINA,D,J,N,X1XMO0.79
PARPAROMOMYCINY,Z2VQF0.79
PARPAROMOMYCINA,D,J,N,X1XNR0.79
CNY13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12-
TETRAHYDROXYHEXADECAHYDRO-2H-7,10-
EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN-
8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE
A,C,D1ZZ50.73
HYGHYGROMYCIN BA,E,N3DF10.74
HYGHYGROMYCIN BA,E3DF30.74
HYGHYGROMYCIN BA,D,H,N1HNZ0.74
GLPGLUCOSAMINE 6-PHOSPHATEE,F,G,H,P,Q,
R,S
2NZ40.7
GLPGLUCOSAMINE 6-PHOSPHATEA1MOQ0.7
GLPGLUCOSAMINE 6-PHOSPHATEA3CXQ0.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4A0.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4C0.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4B0.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B2VHL0.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B2Z750.7
GLPGLUCOSAMINE 6-PHOSPHATEX2VF50.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B2RI10.7
N33A2O3V0.77
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
A2H150.73
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.75
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ90.72
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ40.72
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
TOYTOBRAMYCINA,B1M4D0.77
TOYTOBRAMYCINA,B1LC40.77
EAG2-aminoethyl 2-(acetylamino)-2-
deoxy-beta-D-glucopyranoside
B,D,E,F,H3BZ40.7
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.77
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.77
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.77
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.77
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.77
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.77
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.77
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.78
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.78
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.78
9CS(1R,2S,3S,4R,6S)-4,6-DIAMINO-3-
[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-
2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-
2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE
A2QIR0.77
NMYNEOMYCINA2B0Q0.79
NMYNEOMYCIN4,B2QP10.79
NMYNEOMYCINA,B2ET40.79
NMYNEOMYCINA,E,N2QAN0.79
NMYNEOMYCINA,B2FCY0.79
NMYNEOMYCINA2QP00.79
NMYNEOMYCINA1I9V0.79
NMYNEOMYCINA2QAL0.79
NMYNEOMYCIN4,B2QOZ0.79
NMYNEOMYCINA,C2A040.79
NMYNEOMYCINA1EI20.79
NMYNEOMYCINA,B3C7R0.79
NMYNEOMYCIN4,B2QAM0.79
NMYNEOMYCIN4,B2QAO0.79
NMYNEOMYCINA2QOY0.79
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.75
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.77
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
B2O3X0.81
KNCKANAMYCIN CA1V0C0.77
NGO2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-
ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-
OXAZOLE
A,B,C,D1E6Z0.75
LIVA,B2ESJ0.76
LIVA,B2FD00.76
LIVA,B3C5D0.76