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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03131700

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GP4GLUCOSAMINE 4-PHOSPHATEA1FCP0.7
GP4GLUCOSAMINE 4-PHOSPHATEA,B,C1Q9W0.7
GP4GLUCOSAMINE 4-PHOSPHATEA2FCP0.7
CR11-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCOPYRANOSE
A1FU70.78
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.76
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.77
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.77
NTFN-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANOSYLAMINEA1WW30.71
PA1PAROMOMYCIN (RING 1)A1PBR0.78
PA1PAROMOMYCIN (RING 1)A1QKC0.78
PA1PAROMOMYCIN (RING 1)A1QFG0.78
PA1PAROMOMYCIN (RING 1)A1FI10.78
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.78
PA1PAROMOMYCIN (RING 1)A1QFF0.78
GP1GLUCOSAMINE 1-PHOSPHATEA,B,C1Q9W0.7
GP1GLUCOSAMINE 1-PHOSPHATEA,B2OI60.7
GP1GLUCOSAMINE 1-PHOSPHATEA2FCP0.7
GP1GLUCOSAMINE 1-PHOSPHATEA1FCP0.7
GP1GLUCOSAMINE 1-PHOSPHATEA1UJW0.7
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.72
GCSD-GLUCOSAMINEA3CO40.78
GCSD-GLUCOSAMINEA1QGI0.78
GCSD-GLUCOSAMINEA,B2VZS0.78
GCSD-GLUCOSAMINEA1E9L0.78
GCSD-GLUCOSAMINEA,B,C,D3FXI0.78
GCSD-GLUCOSAMINEA,B2VZV0.78
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.72
SGNN,O6-DISULFO-GLUCOSAMINEA,B1FQ90.7
SGNN,O6-DISULFO-GLUCOSAMINEB2AXM0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B1GMN0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B1T8U0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1BFB0.7
SGNN,O6-DISULFO-GLUCOSAMINEB,D,F,H1XMN0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F,
G,H
1GMO0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F1AXM0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1XT30.7
SGNN,O6-DISULFO-GLUCOSAMINE11QQP0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B1RID0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1G5N0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B2BRS0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1HPN0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1ZA40.7
SGNN,O6-DISULFO-GLUCOSAMINE11ZBA0.7
SGNN,O6-DISULFO-GLUCOSAMINEA1BFC0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D2VRA0.7
SGNN,O6-DISULFO-GLUCOSAMINEA2HYV0.7
SGNN,O6-DISULFO-GLUCOSAMINEH,I3B9F0.7
SGNN,O6-DISULFO-GLUCOSAMINEA,B3DY00.7
SGNN,O6-DISULFO-GLUCOSAMINEA2HYU0.7
SGNN,O6-DISULFO-GLUCOSAMINEB,C,D,E1E0O0.7
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.72
OXZTETRAHYDROOXAZINEA,B1W3J0.79
OXZTETRAHYDROOXAZINEA1W3K0.79
OXZTETRAHYDROOXAZINEA1W3L0.79
CGFC-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4G0.8
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.71
GNSN-SULFO-ALPHA-D-GLUCOSAMINEA2ERM0.71
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.71
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.74
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.72
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.72
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.77
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.77
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.77
GRF5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINEA1ZLY0.77
GLPGLUCOSAMINE 6-PHOSPHATEE,F,G,H,P,Q,
R,S
2NZ40.7
GLPGLUCOSAMINE 6-PHOSPHATEA1MOQ0.7
GLPGLUCOSAMINE 6-PHOSPHATEA3CXQ0.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4A0.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4C0.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4B0.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B2VHL0.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B2Z750.7
GLPGLUCOSAMINE 6-PHOSPHATEX2VF50.7
GLPGLUCOSAMINE 6-PHOSPHATEA,B2RI10.7
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.77
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.77
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.77
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.7
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.78
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.78
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.78
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.78
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.78
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.78
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE
A2BWM0.71
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE
A1O9V0.71
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.78
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.78
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.78
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.78
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.78
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.78
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.78
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.78
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.78
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.74
NEB2-DEOXY-D-STREPTAMINEA1NEM0.72
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.78
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.78
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.78
LKA5-THIO-A/B-D-MANNOPYRANOSYLAMINEA1R330.71
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.71
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.77
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
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.77
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.77
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.78
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.72
NOJ1-DEOXYNOJIRIMYCINA,B2J770.72
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.72
NOJ1-DEOXYNOJIRIMYCINA3GBE0.72
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.72
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.72
NOJ1-DEOXYNOJIRIMYCINA1DOG0.72
NOJ1-DEOXYNOJIRIMYCINA,B1I750.72
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.72
PA2PAROMOMYCIN (RING 2)B1O9M0.73
PA2PAROMOMYCIN (RING 2)A1PBR0.73
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.72
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.72
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.72
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.72
GL6(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER
A1XC70.82
CYY2-DEOXYSTREPTAMINEA1QD30.72