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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02404144

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LKA5-THIO-A/B-D-MANNOPYRANOSYLAMINEA1R330.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.87
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.81
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.81
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.81
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.81
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.81
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.81
GLPGLUCOSAMINE 6-PHOSPHATEE,F,G,H,P,Q,
R,S
2NZ40.74
GLPGLUCOSAMINE 6-PHOSPHATEA1MOQ0.74
GLPGLUCOSAMINE 6-PHOSPHATEA3CXQ0.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4A0.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4C0.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4B0.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B2VHL0.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B2Z750.74
GLPGLUCOSAMINE 6-PHOSPHATEX2VF50.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B2RI10.74
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.87
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.87
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.87
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.79
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.86
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.86
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.88
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.88
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.88
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.88
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.88
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE
A,B1OCB0.77
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE
A1P6W0.77
KANKANAMYCIN AA1L8T0.72
KANKANAMYCIN AA,B1M4I0.72
KANKANAMYCIN AA,B1ND40.72
KANKANAMYCIN AA,B1KNY0.72
KANKANAMYCIN AA,B2ESI0.72
GP1GLUCOSAMINE 1-PHOSPHATEA,B,C1Q9W0.74
GP1GLUCOSAMINE 1-PHOSPHATEA,B2OI60.74
GP1GLUCOSAMINE 1-PHOSPHATEA2FCP0.74
GP1GLUCOSAMINE 1-PHOSPHATEA1FCP0.74
GP1GLUCOSAMINE 1-PHOSPHATEA1UJW0.74
VAMMETHYL 4-O-(4-THIO-BETA-D-GLUCOPYRANOSYL)-
BETA-D-GLUCOPYRANOSIDE
A2VI00.72
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.83
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.83
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.83
NMYNEOMYCINA2B0Q0.7
NMYNEOMYCIN4,B2QP10.7
NMYNEOMYCINA,B2ET40.7
NMYNEOMYCINA,E,N2QAN0.7
NMYNEOMYCINA,B2FCY0.7
NMYNEOMYCINA2QP00.7
NMYNEOMYCINA1I9V0.7
NMYNEOMYCINA2QAL0.7
NMYNEOMYCIN4,B2QOZ0.7
NMYNEOMYCINA,C2A040.7
NMYNEOMYCINA1EI20.7
NMYNEOMYCINA,B3C7R0.7
NMYNEOMYCIN4,B2QAM0.7
NMYNEOMYCIN4,B2QAO0.7
NMYNEOMYCINA2QOY0.7
GP4GLUCOSAMINE 4-PHOSPHATEA1FCP0.74
GP4GLUCOSAMINE 4-PHOSPHATEA,B,C1Q9W0.74
GP4GLUCOSAMINE 4-PHOSPHATEA2FCP0.74
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
B2O3X0.72
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.81
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.85
GE35-METHYL-4-METHYLAMINO-TETRAHYDRO-
PYRAN-2,3,5-TRIOL
A1BYJ0.71
N33A2O3V0.72
MURMURAMIC ACIDA,C,E,G1LOD0.73
GE13,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACTOPYRANOSEA1BYJ0.72
NGO2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-
ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-
OXAZOLE
A,B,C,D1E6Z0.72
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ90.78
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ40.78
RIORIBOSTAMYCINA,B1M4G0.72
RIORIBOSTAMYCINA,B3C3Z0.72
RIORIBOSTAMYCINA,B1S3Z0.72
RIORIBOSTAMYCINA,B,C,D2FCZ0.72
RIORIBOSTAMYCINA,B2ET50.72
RIORIBOSTAMYCINA,B3DVV0.72
RIORIBOSTAMYCINA2BUE0.72
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1OCJ0.77
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1JFH0.77
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1H5V0.77
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1OC70.77
GCSD-GLUCOSAMINEA3CO40.81
GCSD-GLUCOSAMINEA1QGI0.81
GCSD-GLUCOSAMINEA,B2VZS0.81
GCSD-GLUCOSAMINEA1E9L0.81
GCSD-GLUCOSAMINEA,B,C,D3FXI0.81
GCSD-GLUCOSAMINEA,B2VZV0.81
TOYTOBRAMYCINA,B1M4D0.72
TOYTOBRAMYCINA,B1LC40.72
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.83
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.83
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.83
PA1PAROMOMYCIN (RING 1)A1PBR0.81
PA1PAROMOMYCIN (RING 1)A1QKC0.81
PA1PAROMOMYCIN (RING 1)A1QFG0.81
PA1PAROMOMYCIN (RING 1)A1FI10.81
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.81
PA1PAROMOMYCIN (RING 1)A1QFF0.81
SGNN,O6-DISULFO-GLUCOSAMINEA,B1FQ90.76
SGNN,O6-DISULFO-GLUCOSAMINEB2AXM0.76
SGNN,O6-DISULFO-GLUCOSAMINEA,B1GMN0.76
SGNN,O6-DISULFO-GLUCOSAMINEA,B1T8U0.76
SGNN,O6-DISULFO-GLUCOSAMINEA1BFB0.76
SGNN,O6-DISULFO-GLUCOSAMINEB,D,F,H1XMN0.76
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F,
G,H
1GMO0.76
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F1AXM0.76
SGNN,O6-DISULFO-GLUCOSAMINEA1XT30.76
SGNN,O6-DISULFO-GLUCOSAMINE11QQP0.76
SGNN,O6-DISULFO-GLUCOSAMINEA,B1RID0.76
SGNN,O6-DISULFO-GLUCOSAMINEA1G5N0.76
SGNN,O6-DISULFO-GLUCOSAMINEA,B2BRS0.76
SGNN,O6-DISULFO-GLUCOSAMINEA1HPN0.76
SGNN,O6-DISULFO-GLUCOSAMINEA1ZA40.76
SGNN,O6-DISULFO-GLUCOSAMINE11ZBA0.76
SGNN,O6-DISULFO-GLUCOSAMINEA1BFC0.76
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D2VRA0.76
SGNN,O6-DISULFO-GLUCOSAMINEA2HYV0.76
SGNN,O6-DISULFO-GLUCOSAMINEH,I3B9F0.76
SGNN,O6-DISULFO-GLUCOSAMINEA,B3DY00.76
SGNN,O6-DISULFO-GLUCOSAMINEA2HYU0.76
SGNN,O6-DISULFO-GLUCOSAMINEB,C,D,E1E0O0.76
NNG2-DEOXY-2-{[(S)-HYDROXY(METHYL)PHOSPHORYL]AMINO}-
6-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE
A,B2P530.72
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.85
PARPAROMOMYCINA1FYP0.7
PARPAROMOMYCINV,Z2J020.7
PARPAROMOMYCINZ2UXD0.7
PARPAROMOMYCINA,D,N,Y,Z1N330.7
PARPAROMOMYCINV,Y,Z2WDM0.7
PARPAROMOMYCINY,Z2VQE0.7
PARPAROMOMYCINA,D,L,N1IBK0.7
PARPAROMOMYCINZ2UXB0.7
PARPAROMOMYCINY,Z2UU90.7
PARPAROMOMYCINZ2UXC0.7
PARPAROMOMYCINA,D,N,X1XMQ0.7
PARPAROMOMYCINB2O3W0.7
PARPAROMOMYCINV,Y,Z2WDG0.7
PARPAROMOMYCINA2Z4K0.7
PARPAROMOMYCIN4,B2Z4N0.7
PARPAROMOMYCINV,Y,Z2WDK0.7
PARPAROMOMYCINA,E2Z4M0.7
PARPAROMOMYCINA,B,C,D3BNQ0.7
PARPAROMOMYCINY,Z2UUB0.7
PARPAROMOMYCINA,D,H,N1FJG0.7
PARPAROMOMYCINA,B1J7T0.7
PARPAROMOMYCINY,Z2UUA0.7
PARPAROMOMYCINY,Z2UUC0.7
PARPAROMOMYCINA,D,J,N,X1XNQ0.7
PARPAROMOMYCINA,D,E,J,M,N,Y1N320.7
PARPAROMOMYCINA2VQY0.7
PARPAROMOMYCINA,B3C440.7
PARPAROMOMYCINV,Z2J000.7
PARPAROMOMYCIN4,B2Z4L0.7
PARPAROMOMYCINV,Y,Z2WDH0.7
PARPAROMOMYCINA,D,J,N,Y1IBL0.7
PARPAROMOMYCINA,B,C,D3BNR0.7
PARPAROMOMYCINA,D,J,N,X1XMO0.7
PARPAROMOMYCINY,Z2VQF0.7
PARPAROMOMYCINA,D,J,N,X1XNR0.7
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
A2QIR0.72
WIAMETHYL(6S)-1-THIO-L-MANNO-HEXODIALDO-
6,2-PYRANOSIDE
A,B1USR0.73
WIAMETHYL(6S)-1-THIO-L-MANNO-HEXODIALDO-
6,2-PYRANOSIDE
A,B,C1USX0.73
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.71
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.71
GNSN-SULFO-ALPHA-D-GLUCOSAMINEA2ERM0.77
KNCKANAMYCIN CA1V0C0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1M7D0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1LED0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1GSL0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1FWU0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,B,C,D1G1R0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1FWV0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1G1T0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,33KMB0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,32KMB0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,B1ZPL0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,34KMB0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,H1UZ80.71
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEX2BOD0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OCJ0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1UP30.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1Q2E0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QK20.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1P6W0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1E5J0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1FCE0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEX2BOG0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA2QNO0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1GZ10.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QM50.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1H5V0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1G9J0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OC50.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1UOZ0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QJW0.73
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OC70.73
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,C,E,G1UH10.71
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,B,C,D2DU10.71
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,C,E,G1UH00.71
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,B,C,D2DVA0.71
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA1UGX0.71
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
B2F4S0.77
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,B2FCX0.77
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
B2ET80.77
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.79
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.79