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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02382533

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.77
SGNN,O6-DISULFO-GLUCOSAMINEA,B1FQ90.72
SGNN,O6-DISULFO-GLUCOSAMINEB2AXM0.72
SGNN,O6-DISULFO-GLUCOSAMINEA,B1GMN0.72
SGNN,O6-DISULFO-GLUCOSAMINEA,B1T8U0.72
SGNN,O6-DISULFO-GLUCOSAMINEA1BFB0.72
SGNN,O6-DISULFO-GLUCOSAMINEB,D,F,H1XMN0.72
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F,
G,H
1GMO0.72
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F1AXM0.72
SGNN,O6-DISULFO-GLUCOSAMINEA1XT30.72
SGNN,O6-DISULFO-GLUCOSAMINE11QQP0.72
SGNN,O6-DISULFO-GLUCOSAMINEA,B1RID0.72
SGNN,O6-DISULFO-GLUCOSAMINEA1G5N0.72
SGNN,O6-DISULFO-GLUCOSAMINEA,B2BRS0.72
SGNN,O6-DISULFO-GLUCOSAMINEA1HPN0.72
SGNN,O6-DISULFO-GLUCOSAMINEA1ZA40.72
SGNN,O6-DISULFO-GLUCOSAMINE11ZBA0.72
SGNN,O6-DISULFO-GLUCOSAMINEA1BFC0.72
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D2VRA0.72
SGNN,O6-DISULFO-GLUCOSAMINEA2HYV0.72
SGNN,O6-DISULFO-GLUCOSAMINEH,I3B9F0.72
SGNN,O6-DISULFO-GLUCOSAMINEA,B3DY00.72
SGNN,O6-DISULFO-GLUCOSAMINEA2HYU0.72
SGNN,O6-DISULFO-GLUCOSAMINEB,C,D,E1E0O0.72
LKA5-THIO-A/B-D-MANNOPYRANOSYLAMINEA1R330.72
CGFC-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4G0.76
GP1GLUCOSAMINE 1-PHOSPHATEA,B,C1Q9W0.72
GP1GLUCOSAMINE 1-PHOSPHATEA,B2OI60.72
GP1GLUCOSAMINE 1-PHOSPHATEA2FCP0.72
GP1GLUCOSAMINE 1-PHOSPHATEA1FCP0.72
GP1GLUCOSAMINE 1-PHOSPHATEA1UJW0.72
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.74
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.71
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.71
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.71
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.71
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.71
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.82
GP4GLUCOSAMINE 4-PHOSPHATEA1FCP0.72
GP4GLUCOSAMINE 4-PHOSPHATEA,B,C1Q9W0.72
GP4GLUCOSAMINE 4-PHOSPHATEA2FCP0.72
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.8
KANKANAMYCIN AA1L8T0.72
KANKANAMYCIN AA,B1M4I0.72
KANKANAMYCIN AA,B1ND40.72
KANKANAMYCIN AA,B1KNY0.72
KANKANAMYCIN AA,B2ESI0.72
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.8
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.8
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.8
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.8
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.8
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.8
GLPGLUCOSAMINE 6-PHOSPHATEE,F,G,H,P,Q,
R,S
2NZ40.72
GLPGLUCOSAMINE 6-PHOSPHATEA1MOQ0.72
GLPGLUCOSAMINE 6-PHOSPHATEA3CXQ0.72
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4A0.72
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4C0.72
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4B0.72
GLPGLUCOSAMINE 6-PHOSPHATEA,B2VHL0.72
GLPGLUCOSAMINE 6-PHOSPHATEA,B2Z750.72
GLPGLUCOSAMINE 6-PHOSPHATEX2VF50.72
GLPGLUCOSAMINE 6-PHOSPHATEA,B2RI10.72
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.95
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
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.89
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
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.79
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.79
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.79
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.79
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.79
NOJ1-DEOXYNOJIRIMYCINA,B2J770.79
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.79
NOJ1-DEOXYNOJIRIMYCINA3GBE0.79
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.79
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.79
NOJ1-DEOXYNOJIRIMYCINA1DOG0.79
NOJ1-DEOXYNOJIRIMYCINA,B1I750.79
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.79
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
GNSN-SULFO-ALPHA-D-GLUCOSAMINEA2ERM0.73
N33A2O3V0.72
PA2PAROMOMYCIN (RING 2)B1O9M0.91
PA2PAROMOMYCIN (RING 2)A1PBR0.91
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.81
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.81
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.81
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.81
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.75
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.76
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.76
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.75
OXZTETRAHYDROOXAZINEA,B1W3J0.75
OXZTETRAHYDROOXAZINEA1W3K0.75
OXZTETRAHYDROOXAZINEA1W3L0.75
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.81
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
CYY2-DEOXYSTREPTAMINEA1QD30.96
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
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.74
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.74
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.74
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
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.75
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.8
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.82
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.75
KNCKANAMYCIN CA1V0C0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.74
CGBCALYSTEGINE B2A,B2CBV0.73
GE23,5-DIAMINO-CYCLOHEXANOLA1BYJ0.81
GCSD-GLUCOSAMINEA3CO40.8
GCSD-GLUCOSAMINEA1QGI0.8
GCSD-GLUCOSAMINEA,B2VZS0.8
GCSD-GLUCOSAMINEA1E9L0.8
GCSD-GLUCOSAMINEA,B,C,D3FXI0.8
GCSD-GLUCOSAMINEA,B2VZV0.8
NEB2-DEOXY-D-STREPTAMINEA1NEM0.96
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
AZFAZAFAGOMINEA,B2J7H0.73
PA1PAROMOMYCIN (RING 1)A1PBR0.8
PA1PAROMOMYCIN (RING 1)A1QKC0.8
PA1PAROMOMYCIN (RING 1)A1QFG0.8
PA1PAROMOMYCIN (RING 1)A1FI10.8
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.8
PA1PAROMOMYCIN (RING 1)A1QFF0.8
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.74