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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03091417

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FA32-ANHYDRO-3-FLUORO-QUINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1V1J0.83
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
A,B1ECM0.74
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2CHT0.74
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
X2GTV0.74
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
H1FIG0.74
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
A,B4CSM0.74
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
A,B3CSM0.74
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
B2FP20.74
S3PSHIKIMATE-3-PHOSPHATEA2O0D0.74
S3PSHIKIMATE-3-PHOSPHATEA2GGD0.74
S3PSHIKIMATE-3-PHOSPHATEA2IYY0.74
S3PSHIKIMATE-3-PHOSPHATEA2IYZ0.74
S3PSHIKIMATE-3-PHOSPHATEA2O0E0.74
S3PSHIKIMATE-3-PHOSPHATEA2QFQ0.74
S3PSHIKIMATE-3-PHOSPHATEA1G6T0.74
S3PSHIKIMATE-3-PHOSPHATEA1MI40.74
S3PSHIKIMATE-3-PHOSPHATEA3FK10.74
S3PSHIKIMATE-3-PHOSPHATEA2QFT0.74
S3PSHIKIMATE-3-PHOSPHATEA2QFU0.74
S3PSHIKIMATE-3-PHOSPHATEA2GG60.74
S3PSHIKIMATE-3-PHOSPHATEA2GGA0.74
S3PSHIKIMATE-3-PHOSPHATEA1G6S0.74
S3PSHIKIMATE-3-PHOSPHATEA3FK00.74
S3PSHIKIMATE-3-PHOSPHATEA3FJZ0.74
S3PSHIKIMATE-3-PHOSPHATEA2O0B0.74
S3PSHIKIMATE-3-PHOSPHATEA2QFS0.74
S3PSHIKIMATE-3-PHOSPHATEA,B,C,D1RF60.74
S3PSHIKIMATE-3-PHOSPHATEA3FJX0.74
FA12,3 -ANHYDRO-QUINIC ACIDA1H0R0.86
FA12,3 -ANHYDRO-QUINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1GU10.86
FA12,3 -ANHYDRO-QUINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
2C570.86
4HD(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-
5,7,10,13,16,19-hexaenoic acid
A,B2VV10.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2IYR0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A3BAF0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A3DOO0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1U8A0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1ZUI0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2EV90.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B,C,D2HK90.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2D5C0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYQ0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2AA90.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1ZYU0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2GPT0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2G1K0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2AAY0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYX0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2DFN0.81
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYS0.81
LVA(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-
DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-
1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL)-3,5-DIHYDROXYHEPTANOIC ACID
A,B1T020.7
114COMPACTINA,B,C,D1HW80.7
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID
A1R6W0.74
5HE(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-
6,8,11,14,17-pentaenoic acid
A,B2VV20.79
TSO(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
A,B,C,D2W1A0.74
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid
A,B3DSI0.71
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid
A3DZT0.72
PREPREPHENIC ACIDA,B,C,D,E,F,
G,H,K
1COM0.74
DHK3-DEHYDROSHIKIMATEA1WE20.88
DHK3-DEHYDROSHIKIMATEA,B1SFJ0.88
DHK3-DEHYDROSHIKIMATEA,B,C,D,E,F,
G,H,I,J,K,L
1GTZ0.88
DHK3-DEHYDROSHIKIMATEA2O7Q0.88
DHK3-DEHYDROSHIKIMATEA2O7S0.88