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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016898

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BOGB-OCTYLGLUCOSIDEA,B3E6L0.73
BOGB-OCTYLGLUCOSIDEA,B2RCU0.73
BOGB-OCTYLGLUCOSIDEA,B3GJC0.73
BOGB-OCTYLGLUCOSIDEA2QJU0.73
BOGB-OCTYLGLUCOSIDEA,B2DEB0.73
BOGB-OCTYLGLUCOSIDEA,B1EQG0.73
BOGB-OCTYLGLUCOSIDEA,B1LPB0.73
BOGB-OCTYLGLUCOSIDEA1IGX0.73
BOGB-OCTYLGLUCOSIDEA,B1M8D0.73
BOGB-OCTYLGLUCOSIDEA,B3E680.73
BOGB-OCTYLGLUCOSIDEA1AUA0.73
BOGB-OCTYLGLUCOSIDEA,B1K8Q0.73
BOGB-OCTYLGLUCOSIDEA2CMB0.73
BOGB-OCTYLGLUCOSIDEA2JAG0.73
BOGB-OCTYLGLUCOSIDEA,B3B6H0.73
BOGB-OCTYLGLUCOSIDEA1FX80.73
BOGB-OCTYLGLUCOSIDEA1C4O0.73
BOGB-OCTYLGLUCOSIDEA2EVU0.73
BOGB-OCTYLGLUCOSIDEA,B,C,D1LRT0.73
BOGB-OCTYLGLUCOSIDEA1ZYJ0.73
BOGB-OCTYLGLUCOSIDEA1ILZ0.73
BOGB-OCTYLGLUCOSIDEA1IM00.73
BOGB-OCTYLGLUCOSIDEA1W6K0.73
BOGB-OCTYLGLUCOSIDEA1D2M0.73
BOGB-OCTYLGLUCOSIDEX2FGQ0.73
BOGB-OCTYLGLUCOSIDEX2FSM0.73
BOGB-OCTYLGLUCOSIDEA2PV50.73
BOGB-OCTYLGLUCOSIDEA,B,C,D1PXX0.73
BOGB-OCTYLGLUCOSIDEA1FE20.73
BOGB-OCTYLGLUCOSIDEA3GD80.73
BOGB-OCTYLGLUCOSIDEA1U7G0.73
BOGB-OCTYLGLUCOSIDEA,B1Q4G0.73
BOGB-OCTYLGLUCOSIDEA3C020.73
BOGB-OCTYLGLUCOSIDEA2PTO0.73
BOGB-OCTYLGLUCOSIDEA,D1B4W0.73
BOGB-OCTYLGLUCOSIDEA,B1ECZ0.73
BOGB-OCTYLGLUCOSIDEA,B,C,D1C1J0.73
BOGB-OCTYLGLUCOSIDEA,B2R4J0.73
BOGB-OCTYLGLUCOSIDEA3B9Y0.73
BOGB-OCTYLGLUCOSIDEA2QB40.73
BOGB-OCTYLGLUCOSIDEA2QEI0.73
BOGB-OCTYLGLUCOSIDEA,B2QCU0.73
BOGB-OCTYLGLUCOSIDEA,B1Q7T0.73
BOGB-OCTYLGLUCOSIDEA,C,D,E,N,P,
Q,R		3H1H0.73
BOGB-OCTYLGLUCOSIDEA,C,D,E,N,P,
Q,R		3H1K0.73
BOGB-OCTYLGLUCOSIDEA,B2R450.73
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F1NKZ0.73
BOGB-OCTYLGLUCOSIDEA1W6J0.73
BOGB-OCTYLGLUCOSIDEX2FSL0.73
BOGB-OCTYLGLUCOSIDEA1QD50.73
BOGB-OCTYLGLUCOSIDEA,B,D,F,G,H,I1JMU0.73
BOGB-OCTYLGLUCOSIDEC,D,E1BCC0.73
BOGB-OCTYLGLUCOSIDEA,B2Z730.73
BOGB-OCTYLGLUCOSIDEA,B2R4E0.73
BOGB-OCTYLGLUCOSIDEA3B9W0.73
BOGB-OCTYLGLUCOSIDEC,D,E2BCC0.73
BOGB-OCTYLGLUCOSIDEA1IGZ0.73
BOGB-OCTYLGLUCOSIDEA2F950.73
BOGB-OCTYLGLUCOSIDEA1LDA0.73
BOGB-OCTYLGLUCOSIDEA3BIF0.73
BOGB-OCTYLGLUCOSIDEA,B1CQE0.73
BOGB-OCTYLGLUCOSIDEA,B1JWK0.73
BOGB-OCTYLGLUCOSIDEA1JGJ0.73
BOGB-OCTYLGLUCOSIDEA3F3A0.73
BOGB-OCTYLGLUCOSIDEA2GQ80.73
BOGB-OCTYLGLUCOSIDEA1H2S0.73
BOGB-OCTYLGLUCOSIDEA3F4I0.73
BOGB-OCTYLGLUCOSIDEA,B,C,D1DDX0.73
BOGB-OCTYLGLUCOSIDEA,D1M2Z0.73
BOGB-OCTYLGLUCOSIDEX2FST0.73
BOGB-OCTYLGLUCOSIDEA1XEZ0.73
BOGB-OCTYLGLUCOSIDEA3F4J0.73
BOGB-OCTYLGLUCOSIDEA,B2NS10.73
BOGB-OCTYLGLUCOSIDEA1ILD0.73
BOGB-OCTYLGLUCOSIDED,E,G1YK30.73
BOGB-OCTYLGLUCOSIDEP2OYU0.73
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H		3BKD0.73
BOGB-OCTYLGLUCOSIDEA3F3D0.73
BOGB-OCTYLGLUCOSIDEA2PTJ0.73
BOGB-OCTYLGLUCOSIDEA,B1OKE0.73
BOGB-OCTYLGLUCOSIDEA1NF80.73
BOGB-OCTYLGLUCOSIDEA2P4B0.73
BOGB-OCTYLGLUCOSIDEA,B1M9T0.73
BOGB-OCTYLGLUCOSIDEA2PKJ0.73
BOGB-OCTYLGLUCOSIDEL,M4RCR0.73
BOGB-OCTYLGLUCOSIDEA,B2R460.73
BOGB-OCTYLGLUCOSIDEA,B1HT50.73
BOGB-OCTYLGLUCOSIDEA,B2IWW0.73
BOGB-OCTYLGLUCOSIDEA2Q720.73
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F1IJD0.73
BOGB-OCTYLGLUCOSIDEA1ZZ20.73
BOGB-OCTYLGLUCOSIDEA2CMC0.73
BOGB-OCTYLGLUCOSIDEA,C,D,E,G,P,
Q,R,W		3CWB0.73
BOGB-OCTYLGLUCOSIDEA,B2BIF0.73
BOGB-OCTYLGLUCOSIDEA1LDI0.73
BOGB-OCTYLGLUCOSIDEA2A650.73
BOGB-OCTYLGLUCOSIDEA2O9G0.73
BOGB-OCTYLGLUCOSIDEA2JAF0.73
BOGB-OCTYLGLUCOSIDEA2PV80.73
BOGB-OCTYLGLUCOSIDEA3F480.73
BOGB-OCTYLGLUCOSIDEA,B1TCB0.73
BOGB-OCTYLGLUCOSIDEA,B,C,D2CZV0.73
BOGB-OCTYLGLUCOSIDEA,B1HT80.73
BOGB-OCTYLGLUCOSIDEA3DQB0.73
BOGB-OCTYLGLUCOSIDEP2OYE0.73
BOGB-OCTYLGLUCOSIDEA1DIY0.73
BOGB-OCTYLGLUCOSIDEA,B2AYL0.73
BOGB-OCTYLGLUCOSIDEA3F3E0.73
BOGB-OCTYLGLUCOSIDEA,B1VE60.73
BOGB-OCTYLGLUCOSIDEA2Q6H0.73
BOGB-OCTYLGLUCOSIDEA,B1I780.73
BOGB-OCTYLGLUCOSIDEA,B1PGE0.73
BOGB-OCTYLGLUCOSIDEA1P490.73
BOGB-OCTYLGLUCOSIDEA3GJD0.73
BOGB-OCTYLGLUCOSIDEA,B1PTH0.73
BOGB-OCTYLGLUCOSIDEA,B1CVU0.73
BOGB-OCTYLGLUCOSIDEA2GOU0.73
BOGB-OCTYLGLUCOSIDEA,B2OXL0.73
BOGB-OCTYLGLUCOSIDEA2CNE0.73
BOGB-OCTYLGLUCOSIDEA1NF90.73
BOGB-OCTYLGLUCOSIDEA,B1TCC0.73
BOGB-OCTYLGLUCOSIDEA1YC90.73
BOGB-OCTYLGLUCOSIDE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,P,Q,
S,T,U,W,X,Y,Z		1L6L0.73
BOGB-OCTYLGLUCOSIDEA,B1UUM0.73
BOGB-OCTYLGLUCOSIDEA,B1YZ40.73
BOGB-OCTYLGLUCOSIDEA1U670.73
BOGB-OCTYLGLUCOSIDEA3F3C0.73
BOGB-OCTYLGLUCOSIDEA,B1JWJ0.73
BOGB-OCTYLGLUCOSIDEX2FSO0.73
BOGB-OCTYLGLUCOSIDEA,B,C,F,H,I,
J,K		2HD00.73
BOGB-OCTYLGLUCOSIDEA1LDF0.73
BOGB-OCTYLGLUCOSIDEA2AA20.73
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F2G3N0.73
BOGB-OCTYLGLUCOSIDEA,B1EQH0.73
BOGB-OCTYLGLUCOSIDEA3B9Z0.73
BOGB-OCTYLGLUCOSIDEA2F930.73
BOGB-OCTYLGLUCOSIDEA2NPQ0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.85
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.85
46M(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-
TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID		A1X1I0.76
AD0DIGALACTURONIC ACIDA,B2UVF0.9
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D1YQ30.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A1LZI0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B2GMH0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A1WT10.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A1WT30.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A1LZJ0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D,N,O,
P,Q		2FBW0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D1YQ40.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D2H890.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D,N,O,
P,Q		2H880.71
BHEoctyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-
beta-D-galactopyranoside		A2RJ10.7
BHEoctyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-
beta-D-galactopyranoside		A2RJ60.7
BHEoctyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-
beta-D-galactopyranoside		A2RJ80.7
BHEoctyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-
beta-D-galactopyranoside		A2RIY0.7
BGLB-2-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.72
BGLB-2-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.72
BGLB-2-OCTYLGLUCOSIDEA,B1L9N0.72
BGLB-2-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.72
BGLB-2-OCTYLGLUCOSIDEA1TAU0.72
BGLB-2-OCTYLGLUCOSIDEB1RC20.72
BGLB-2-OCTYLGLUCOSIDEC,H,L,M1EYS0.72
BGLB-2-OCTYLGLUCOSIDEA,B3CAP0.72
BGLB-2-OCTYLGLUCOSIDEA1TAQ0.72
BGLB-2-OCTYLGLUCOSIDEA,B,C,E,F,G2ABM0.72
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.83
46D(4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-
CARBOXY-TETRAHYDRO-4,5,6-TRIHYDROXY-
2H-PYRAN-2-YLOXY)-HEXAHYDRO-6,7-
DIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID)		A1X1J0.86
BEMbeta-D-mannuronic acidA2ZAA0.85
BEMbeta-D-mannuronic acidA2ZAC0.85
BEMbeta-D-mannuronic acidA2ZAB0.85
BEMbeta-D-mannuronic acidA1Y3N0.85
BEMbeta-D-mannuronic acidA1Y3P0.85
BEMbeta-D-mannuronic acidA,B1J1N0.85
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B1Y0S0.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2B500.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNP0.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2AWH0.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNQ0.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA3GZ90.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,D1QPF0.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2BAW0.74
BNGB-NONYLGLUCOSIDEA3B440.73
BNGB-NONYLGLUCOSIDEA,B2QKS0.73
BNGB-NONYLGLUCOSIDEA1J4N0.73
BNGB-NONYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J		1RWT0.73
BNGB-NONYLGLUCOSIDEA,B1XME0.73
BNGB-NONYLGLUCOSIDEA,B1L9H0.73
BNGB-NONYLGLUCOSIDEB1LPA0.73
BNGB-NONYLGLUCOSIDEA3B450.73
BNGB-NONYLGLUCOSIDEA1YMG0.73
BNGB-NONYLGLUCOSIDEA2IC80.73
BNGB-NONYLGLUCOSIDEA,B1HZX0.73
BNGB-NONYLGLUCOSIDEA,B,C3EH40.73
BNGB-NONYLGLUCOSIDEA2O7L0.73
BNGB-NONYLGLUCOSIDEA,B1VGO0.73
BNGB-NONYLGLUCOSIDEA,B1EHK0.73
BNGB-NONYLGLUCOSIDEA,B,C3EH50.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.85
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2FAF0.83
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B,C,D2FAH0.83
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2QZY0.83
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE		A,B1EKH0.73
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE		A,B1EKI0.73
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.7
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2NX30.7
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.71
CDGMETHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-
BETA-D-GALACTOPYRANOSIDE		A,B,C,D,E1GYK0.77
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE		A1CAP0.76
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE		A1J0N0.76
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.8
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.8