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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03482370

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.79
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.79
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.79
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.79
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.79
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.77
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.78
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.78
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.78
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.78
CGFC-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4G0.76
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.83
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.78
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE
A2BWM0.7
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE
A1O9V0.7
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.85
NGO2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-
ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-
OXAZOLE
A,B,C,D1E6Z0.71
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.74
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.74
PA2PAROMOMYCIN (RING 2)B1O9M0.81
PA2PAROMOMYCIN (RING 2)A1PBR0.81
CGBCALYSTEGINE B2A,B2CBV0.71
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.78
GLPGLUCOSAMINE 6-PHOSPHATEE,F,G,H,P,Q,
R,S
2NZ40.75
GLPGLUCOSAMINE 6-PHOSPHATEA1MOQ0.75
GLPGLUCOSAMINE 6-PHOSPHATEA3CXQ0.75
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4A0.75
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4C0.75
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4B0.75
GLPGLUCOSAMINE 6-PHOSPHATEA,B2VHL0.75
GLPGLUCOSAMINE 6-PHOSPHATEA,B2Z750.75
GLPGLUCOSAMINE 6-PHOSPHATEX2VF50.75
GLPGLUCOSAMINE 6-PHOSPHATEA,B2RI10.75
KANKANAMYCIN AA1L8T0.72
KANKANAMYCIN AA,B1M4I0.72
KANKANAMYCIN AA,B1ND40.72
KANKANAMYCIN AA,B1KNY0.72
KANKANAMYCIN AA,B2ESI0.72
LKA5-THIO-A/B-D-MANNOPYRANOSYLAMINEA1R330.7
GP4GLUCOSAMINE 4-PHOSPHATEA1FCP0.75
GP4GLUCOSAMINE 4-PHOSPHATEA,B,C1Q9W0.75
GP4GLUCOSAMINE 4-PHOSPHATEA2FCP0.75
GE23,5-DIAMINO-CYCLOHEXANOLA1BYJ0.72
GL6(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER
A1XC70.73
PARPAROMOMYCINA1FYP0.71
PARPAROMOMYCINV,Z2J020.71
PARPAROMOMYCINZ2UXD0.71
PARPAROMOMYCINA,D,N,Y,Z1N330.71
PARPAROMOMYCINV,Y,Z2WDM0.71
PARPAROMOMYCINY,Z2VQE0.71
PARPAROMOMYCINA,D,L,N1IBK0.71
PARPAROMOMYCINZ2UXB0.71
PARPAROMOMYCINY,Z2UU90.71
PARPAROMOMYCINZ2UXC0.71
PARPAROMOMYCINA,D,N,X1XMQ0.71
PARPAROMOMYCINB2O3W0.71
PARPAROMOMYCINV,Y,Z2WDG0.71
PARPAROMOMYCINA2Z4K0.71
PARPAROMOMYCIN4,B2Z4N0.71
PARPAROMOMYCINV,Y,Z2WDK0.71
PARPAROMOMYCINA,E2Z4M0.71
PARPAROMOMYCINA,B,C,D3BNQ0.71
PARPAROMOMYCINY,Z2UUB0.71
PARPAROMOMYCINA,D,H,N1FJG0.71
PARPAROMOMYCINA,B1J7T0.71
PARPAROMOMYCINY,Z2UUA0.71
PARPAROMOMYCINY,Z2UUC0.71
PARPAROMOMYCINA,D,J,N,X1XNQ0.71
PARPAROMOMYCINA,D,E,J,M,N,Y1N320.71
PARPAROMOMYCINA2VQY0.71
PARPAROMOMYCINA,B3C440.71
PARPAROMOMYCINV,Z2J000.71
PARPAROMOMYCIN4,B2Z4L0.71
PARPAROMOMYCINV,Y,Z2WDH0.71
PARPAROMOMYCINA,D,J,N,Y1IBL0.71
PARPAROMOMYCINA,B,C,D3BNR0.71
PARPAROMOMYCINA,D,J,N,X1XMO0.71
PARPAROMOMYCINY,Z2VQF0.71
PARPAROMOMYCINA,D,J,N,X1XNR0.71
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.8
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.8
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.8
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.8
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.8
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.8
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.8
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.8
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.8
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
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.8
GNSN-SULFO-ALPHA-D-GLUCOSAMINEA2ERM0.76
GP1GLUCOSAMINE 1-PHOSPHATEA,B,C1Q9W0.75
GP1GLUCOSAMINE 1-PHOSPHATEA,B2OI60.75
GP1GLUCOSAMINE 1-PHOSPHATEA2FCP0.75
GP1GLUCOSAMINE 1-PHOSPHATEA1FCP0.75
GP1GLUCOSAMINE 1-PHOSPHATEA1UJW0.75
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.8
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.8
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.8
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.83
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.83
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.83
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.83
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.83
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.83
SGNN,O6-DISULFO-GLUCOSAMINEA,B1FQ90.75
SGNN,O6-DISULFO-GLUCOSAMINEB2AXM0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B1GMN0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B1T8U0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1BFB0.75
SGNN,O6-DISULFO-GLUCOSAMINEB,D,F,H1XMN0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F,
G,H
1GMO0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F1AXM0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1XT30.75
SGNN,O6-DISULFO-GLUCOSAMINE11QQP0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B1RID0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1G5N0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B2BRS0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1HPN0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1ZA40.75
SGNN,O6-DISULFO-GLUCOSAMINE11ZBA0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1BFC0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D2VRA0.75
SGNN,O6-DISULFO-GLUCOSAMINEA2HYV0.75
SGNN,O6-DISULFO-GLUCOSAMINEH,I3B9F0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B3DY00.75
SGNN,O6-DISULFO-GLUCOSAMINEA2HYU0.75
SGNN,O6-DISULFO-GLUCOSAMINEB,C,D,E1E0O0.75
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.79
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
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.71
NEB2-DEOXY-D-STREPTAMINEA1NEM0.86
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.79
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.79
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.79
N33A2O3V0.72
MURMURAMIC ACIDA,C,E,G1LOD0.73
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.75
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.78
RIORIBOSTAMYCINA,B1M4G0.72
RIORIBOSTAMYCINA,B3C3Z0.72
RIORIBOSTAMYCINA,B1S3Z0.72
RIORIBOSTAMYCINA,B,C,D2FCZ0.72
RIORIBOSTAMYCINA,B2ET50.72
RIORIBOSTAMYCINA,B3DVV0.72
RIORIBOSTAMYCINA2BUE0.72
TOYTOBRAMYCINA,B1M4D0.72
TOYTOBRAMYCINA,B1LC40.72
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.72
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.85
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
NNG2-DEOXY-2-{[(S)-HYDROXY(METHYL)PHOSPHORYL]AMINO}-
6-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE
A,B2P530.72
PA1PAROMOMYCIN (RING 1)A1PBR0.83
PA1PAROMOMYCIN (RING 1)A1QKC0.83
PA1PAROMOMYCIN (RING 1)A1QFG0.83
PA1PAROMOMYCIN (RING 1)A1FI10.83
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.83
PA1PAROMOMYCIN (RING 1)A1QFF0.83
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
CYY2-DEOXYSTREPTAMINEA1QD30.86
GCSD-GLUCOSAMINEA3CO40.83
GCSD-GLUCOSAMINEA1QGI0.83
GCSD-GLUCOSAMINEA,B2VZS0.83
GCSD-GLUCOSAMINEA1E9L0.83
GCSD-GLUCOSAMINEA,B,C,D3FXI0.83
GCSD-GLUCOSAMINEA,B2VZV0.83
OXZTETRAHYDROOXAZINEA,B1W3J0.72
OXZTETRAHYDROOXAZINEA1W3K0.72
OXZTETRAHYDROOXAZINEA1W3L0.72
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.8
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.7
KNCKANAMYCIN CA1V0C0.72
NMYNEOMYCINA2B0Q0.71
NMYNEOMYCIN4,B2QP10.71
NMYNEOMYCINA,B2ET40.71
NMYNEOMYCINA,E,N2QAN0.71
NMYNEOMYCINA,B2FCY0.71
NMYNEOMYCINA2QP00.71
NMYNEOMYCINA1I9V0.71
NMYNEOMYCINA2QAL0.71
NMYNEOMYCIN4,B2QOZ0.71
NMYNEOMYCINA,C2A040.71
NMYNEOMYCINA1EI20.71
NMYNEOMYCINA,B3C7R0.71
NMYNEOMYCIN4,B2QAM0.71
NMYNEOMYCIN4,B2QAO0.71
NMYNEOMYCINA2QOY0.71
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.77
NOJ1-DEOXYNOJIRIMYCINA,B2J770.77
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.77
NOJ1-DEOXYNOJIRIMYCINA3GBE0.77
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.77
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.77
NOJ1-DEOXYNOJIRIMYCINA1DOG0.77
NOJ1-DEOXYNOJIRIMYCINA,B1I750.77
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.77
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.72
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.77
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.77
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.77
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.77
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
B2F4S0.77
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