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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03895572

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LIVA,B2ESJ0.74
LIVA,B2FD00.74
LIVA,B3C5D0.74
SGNN,O6-DISULFO-GLUCOSAMINEA,B1FQ90.77
SGNN,O6-DISULFO-GLUCOSAMINEB2AXM0.77
SGNN,O6-DISULFO-GLUCOSAMINEA,B1GMN0.77
SGNN,O6-DISULFO-GLUCOSAMINEA,B1T8U0.77
SGNN,O6-DISULFO-GLUCOSAMINEA1BFB0.77
SGNN,O6-DISULFO-GLUCOSAMINEB,D,F,H1XMN0.77
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F,
G,H
1GMO0.77
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F1AXM0.77
SGNN,O6-DISULFO-GLUCOSAMINEA1XT30.77
SGNN,O6-DISULFO-GLUCOSAMINE11QQP0.77
SGNN,O6-DISULFO-GLUCOSAMINEA,B1RID0.77
SGNN,O6-DISULFO-GLUCOSAMINEA1G5N0.77
SGNN,O6-DISULFO-GLUCOSAMINEA,B2BRS0.77
SGNN,O6-DISULFO-GLUCOSAMINEA1HPN0.77
SGNN,O6-DISULFO-GLUCOSAMINEA1ZA40.77
SGNN,O6-DISULFO-GLUCOSAMINE11ZBA0.77
SGNN,O6-DISULFO-GLUCOSAMINEA1BFC0.77
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D2VRA0.77
SGNN,O6-DISULFO-GLUCOSAMINEA2HYV0.77
SGNN,O6-DISULFO-GLUCOSAMINEH,I3B9F0.77
SGNN,O6-DISULFO-GLUCOSAMINEA,B3DY00.77
SGNN,O6-DISULFO-GLUCOSAMINEA2HYU0.77
SGNN,O6-DISULFO-GLUCOSAMINEB,C,D,E1E0O0.77
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ90.79
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ40.79
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.88
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.88
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.88
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.88
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.88
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.88
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.88
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.88
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.88
GP1GLUCOSAMINE 1-PHOSPHATEA,B,C1Q9W0.77
GP1GLUCOSAMINE 1-PHOSPHATEA,B2OI60.77
GP1GLUCOSAMINE 1-PHOSPHATEA2FCP0.77
GP1GLUCOSAMINE 1-PHOSPHATEA1FCP0.77
GP1GLUCOSAMINE 1-PHOSPHATEA1UJW0.77
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
B2F4S0.8
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,B2FCX0.8
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
B2ET80.8
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.74
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.74
GE13,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACTOPYRANOSEA1BYJ0.76
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.88
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.88
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.88
AAL3,6-ANHYDRO-L-GALACTOSEA,B,C,D2CDO0.73
AAL3,6-ANHYDRO-L-GALACTOSEA,B1AGA0.73
AAL3,6-ANHYDRO-L-GALACTOSEA,B,C,D2CDP0.73
AAL3,6-ANHYDRO-L-GALACTOSEA1URX0.73
GP4GLUCOSAMINE 4-PHOSPHATEA1FCP0.77
GP4GLUCOSAMINE 4-PHOSPHATEA,B,C1Q9W0.77
GP4GLUCOSAMINE 4-PHOSPHATEA2FCP0.77
RIORIBOSTAMYCINA,B1M4G0.79
RIORIBOSTAMYCINA,B3C3Z0.79
RIORIBOSTAMYCINA,B1S3Z0.79
RIORIBOSTAMYCINA,B,C,D2FCZ0.79
RIORIBOSTAMYCINA,B2ET50.79
RIORIBOSTAMYCINA,B3DVV0.79
RIORIBOSTAMYCINA2BUE0.79
KANKANAMYCIN AA1L8T0.75
KANKANAMYCIN AA,B1M4I0.75
KANKANAMYCIN AA,B1ND40.75
KANKANAMYCIN AA,B1KNY0.75
KANKANAMYCIN AA,B2ESI0.75
GLPGLUCOSAMINE 6-PHOSPHATEE,F,G,H,P,Q,
R,S
2NZ40.77
GLPGLUCOSAMINE 6-PHOSPHATEA1MOQ0.77
GLPGLUCOSAMINE 6-PHOSPHATEA3CXQ0.77
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4A0.77
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4C0.77
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4B0.77
GLPGLUCOSAMINE 6-PHOSPHATEA,B2VHL0.77
GLPGLUCOSAMINE 6-PHOSPHATEA,B2Z750.77
GLPGLUCOSAMINE 6-PHOSPHATEX2VF50.77
GLPGLUCOSAMINE 6-PHOSPHATEA,B2RI10.77
MGS1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-
BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-
MANNOPYRANOSIDE
H1F4X0.7
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.86
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.86
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.86
NMYNEOMYCINA2B0Q0.77
NMYNEOMYCIN4,B2QP10.77
NMYNEOMYCINA,B2ET40.77
NMYNEOMYCINA,E,N2QAN0.77
NMYNEOMYCINA,B2FCY0.77
NMYNEOMYCINA2QP00.77
NMYNEOMYCINA1I9V0.77
NMYNEOMYCINA2QAL0.77
NMYNEOMYCIN4,B2QOZ0.77
NMYNEOMYCINA,C2A040.77
NMYNEOMYCINA1EI20.77
NMYNEOMYCINA,B3C7R0.77
NMYNEOMYCIN4,B2QAM0.77
NMYNEOMYCIN4,B2QAO0.77
NMYNEOMYCINA2QOY0.77
JS4A,B2BEE0.72
GCSD-GLUCOSAMINEA3CO40.85
GCSD-GLUCOSAMINEA1QGI0.85
GCSD-GLUCOSAMINEA,B2VZS0.85
GCSD-GLUCOSAMINEA1E9L0.85
GCSD-GLUCOSAMINEA,B,C,D3FXI0.85
GCSD-GLUCOSAMINEA,B2VZV0.85
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.71
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.82
PA1PAROMOMYCIN (RING 1)A1PBR0.85
PA1PAROMOMYCIN (RING 1)A1QKC0.85
PA1PAROMOMYCIN (RING 1)A1QFG0.85
PA1PAROMOMYCIN (RING 1)A1FI10.85
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.85
PA1PAROMOMYCIN (RING 1)A1QFF0.85
GE35-METHYL-4-METHYLAMINO-TETRAHYDRO-
PYRAN-2,3,5-TRIOL
A1BYJ0.71
KNCKANAMYCIN CA1V0C0.75
MURMURAMIC ACIDA,C,E,G1LOD0.73
AR42-AMINO-5-(3-FLUORO-3,4-DIHYDROXY-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
2-YLOXY)-5-HYDROXY-PENTANOIC ACID
A,B,C1S2D0.71
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,D1ZZ50.71
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.82
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.82
EAG2-aminoethyl 2-(acetylamino)-2-
deoxy-beta-D-glucopyranoside
B,D,E,F,H3BZ40.7
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
A2QIR0.75
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.86
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.86
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.86
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.85
NNG2-DEOXY-2-{[(S)-HYDROXY(METHYL)PHOSPHORYL]AMINO}-
6-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE
A,B2P530.72
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.89
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.85
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.85
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.85
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.85
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.85
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.85
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.86
GNSN-SULFO-ALPHA-D-GLUCOSAMINEA2ERM0.78
TOYTOBRAMYCINA,B1M4D0.75
TOYTOBRAMYCINA,B1LC40.75
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID
A1QTE0.71
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
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
B2O3X0.79
NGO2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-
ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-
OXAZOLE
A,B,C,D1E6Z0.75
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
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.89
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.89
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.89
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.89
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.89
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.9
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.9
N33A2O3V0.75
PARPAROMOMYCINA1FYP0.77
PARPAROMOMYCINV,Z2J020.77
PARPAROMOMYCINZ2UXD0.77
PARPAROMOMYCINA,D,N,Y,Z1N330.77
PARPAROMOMYCINV,Y,Z2WDM0.77
PARPAROMOMYCINY,Z2VQE0.77
PARPAROMOMYCINA,D,L,N1IBK0.77
PARPAROMOMYCINZ2UXB0.77
PARPAROMOMYCINY,Z2UU90.77
PARPAROMOMYCINZ2UXC0.77
PARPAROMOMYCINA,D,N,X1XMQ0.77
PARPAROMOMYCINB2O3W0.77
PARPAROMOMYCINV,Y,Z2WDG0.77
PARPAROMOMYCINA2Z4K0.77
PARPAROMOMYCIN4,B2Z4N0.77
PARPAROMOMYCINV,Y,Z2WDK0.77
PARPAROMOMYCINA,E2Z4M0.77
PARPAROMOMYCINA,B,C,D3BNQ0.77
PARPAROMOMYCINY,Z2UUB0.77
PARPAROMOMYCINA,D,H,N1FJG0.77
PARPAROMOMYCINA,B1J7T0.77
PARPAROMOMYCINY,Z2UUA0.77
PARPAROMOMYCINY,Z2UUC0.77
PARPAROMOMYCINA,D,J,N,X1XNQ0.77
PARPAROMOMYCINA,D,E,J,M,N,Y1N320.77
PARPAROMOMYCINA2VQY0.77
PARPAROMOMYCINA,B3C440.77
PARPAROMOMYCINV,Z2J000.77
PARPAROMOMYCIN4,B2Z4L0.77
PARPAROMOMYCINV,Y,Z2WDH0.77
PARPAROMOMYCINA,D,J,N,Y1IBL0.77
PARPAROMOMYCINA,B,C,D3BNR0.77
PARPAROMOMYCINA,D,J,N,X1XMO0.77
PARPAROMOMYCINY,Z2VQF0.77
PARPAROMOMYCINA,D,J,N,X1XNR0.77