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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03213716

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.7
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.7
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.7
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.7
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.73
OXZTETRAHYDROOXAZINEA,B1W3J0.82
OXZTETRAHYDROOXAZINEA1W3K0.82
OXZTETRAHYDROOXAZINEA1W3L0.82
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.77
CR11-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCOPYRANOSE
A1FU70.72
CGFC-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4G0.79
GRF5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINEA1ZLY0.74
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.7
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
GP4GLUCOSAMINE 4-PHOSPHATEA1FCP0.75
GP4GLUCOSAMINE 4-PHOSPHATEA,B,C1Q9W0.75
GP4GLUCOSAMINE 4-PHOSPHATEA2FCP0.75
MURMURAMIC ACIDA,C,E,G1LOD0.71
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.82
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.82
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.82
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE
A2BWM0.73
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE
A1O9V0.73
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
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.79
GCSD-GLUCOSAMINEA3CO40.84
GCSD-GLUCOSAMINEA1QGI0.84
GCSD-GLUCOSAMINEA,B2VZS0.84
GCSD-GLUCOSAMINEA1E9L0.84
GCSD-GLUCOSAMINEA,B,C,D3FXI0.84
GCSD-GLUCOSAMINEA,B2VZV0.84
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.75
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.71
PA1PAROMOMYCIN (RING 1)A1PBR0.84
PA1PAROMOMYCIN (RING 1)A1QKC0.84
PA1PAROMOMYCIN (RING 1)A1QFG0.84
PA1PAROMOMYCIN (RING 1)A1FI10.84
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.84
PA1PAROMOMYCIN (RING 1)A1QFF0.84
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
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.77
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.77
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.82
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
LKA5-THIO-A/B-D-MANNOPYRANOSYLAMINEA1R330.73
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
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.74
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.74
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.74
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.74
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.74
CYY2-DEOXYSTREPTAMINEA1QD30.75
GL6(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER
A1XC70.76
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
B2F4S0.73
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,B2FCX0.73
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
B2ET80.73
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.84
GE13,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACTOPYRANOSEA1BYJ0.7
AZFAZAFAGOMINEA,B2J7H0.7
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.82
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.82
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.82
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.74
NOJ1-DEOXYNOJIRIMYCINA,B2J770.74
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.74
NOJ1-DEOXYNOJIRIMYCINA3GBE0.74
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.74
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.74
NOJ1-DEOXYNOJIRIMYCINA1DOG0.74
NOJ1-DEOXYNOJIRIMYCINA,B1I750.74
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.74
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.74
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.74
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.74
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.74
NEB2-DEOXY-D-STREPTAMINEA1NEM0.75
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.75
XDNPIPERIDINE-3,4,5-TRIOLA1V0K0.71
XDNPIPERIDINE-3,4,5-TRIOLA1V0M0.71
XDNPIPERIDINE-3,4,5-TRIOLA1FH70.71
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.7
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.74
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2HIL0.71
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL
A2HI20.71
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.77
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.84
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.84
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.84
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.84
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.84
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.84
PA2PAROMOMYCIN (RING 2)B1O9M0.75
PA2PAROMOMYCIN (RING 2)A1PBR0.75
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.8
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.8