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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03078561

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5HE(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-
6,8,11,14,17-pentaenoic acid		A,B2VV20.8
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
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID		A1IK30.73
EPS5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY-
3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-
1-CARBOXYLIC ACID		A2O0Z0.74
EPS5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY-
3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-
1-CARBOXYLIC ACID		A,B,C,D1QXO0.74
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A3DBM0.76
SPQ(3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-
FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}-
4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A,B,C,D1RF40.7
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.74
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid		A,B2VV40.73
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid		A3DZT0.8
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
DHS3-AMINO-4,5-DIHYDROXY-CYCLOHEX-
1-ENECARBOXYLATE		A,B,C,D1L9W0.7
DHS3-AMINO-4,5-DIHYDROXY-CYCLOHEX-
1-ENECARBOXYLATE		A,B1QFE0.7
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID		A1R6W0.74
HMC5-HYDROXYMETHYL-CHONDURITOLA1MFV0.74
HMC5-HYDROXYMETHYL-CHONDURITOLA1NM90.74
HMC5-HYDROXYMETHYL-CHONDURITOLA1CPU0.74
HMC5-HYDROXYMETHYL-CHONDURITOLA1MFU0.74
HMC5-HYDROXYMETHYL-CHONDURITOLA1PIG0.74
HMC5-HYDROXYMETHYL-CHONDURITOLX1Z320.74
HMC5-HYDROXYMETHYL-CHONDURITOLX3BLP0.74
HMC5-HYDROXYMETHYL-CHONDURITOLA3BLK0.74
HMC5-HYDROXYMETHYL-CHONDURITOLA3DHP0.74
SKP5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-
4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-
1-ENECARBOXYLIC ACID		A2O0X0.7
SKP5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-
4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-
1-ENECARBOXYLIC ACID		A1Q360.7
E2PPROSTAGLANDIN B2A1CZ20.72
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid		A,B3DSI0.79
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B3DSJ0.76
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2RCH0.76
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2VST0.76
FA12,3 -ANHYDRO-QUINIC ACIDA1H0R0.8
FA12,3 -ANHYDRO-QUINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1GU10.8
FA12,3 -ANHYDRO-QUINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		2C570.8
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.74
TSO(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		A,B,C,D2W1A0.74
PREPREPHENIC ACIDA,B,C,D,E,F,
G,H,K		1COM0.7
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid		A,B2VSR0.76
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID		A1IK30.71
RC1[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-
1-PHOSPHONOETHOXY)-4-HYDROXY-3-
(PHOSPHONOOXY)-1-CYCLOHEXENE-1-
CARBOXYLIC ACID		A2PQC0.71
RC1[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-
1-PHOSPHONOETHOXY)-4-HYDROXY-3-
(PHOSPHONOOXY)-1-CYCLOHEXENE-1-
CARBOXYLIC ACID		A1X8T0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A,B2IYR0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A3BAF0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A3DOO0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A1U8A0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A1ZUI0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A,B2EV90.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A,B,C,D2HK90.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A,B2D5C0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A2IYQ0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A2AA90.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A1ZYU0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A2GPT0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A2G1K0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A2AAY0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A2IYX0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A2DFN0.86
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID		A2IYS0.86
RCLRICINOLEIC ACIDA2CM40.71
RCLRICINOLEIC ACIDA2CM90.71
RCLRICINOLEIC ACIDA1FK70.71
FA32-ANHYDRO-3-FLUORO-QUINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1V1J0.77
DHK3-DEHYDROSHIKIMATEA1WE20.79
DHK3-DEHYDROSHIKIMATEA,B1SFJ0.79
DHK3-DEHYDROSHIKIMATEA,B,C,D,E,F,
G,H,I,J,K,L		1GTZ0.79
DHK3-DEHYDROSHIKIMATEA2O7Q0.79
DHK3-DEHYDROSHIKIMATEA2O7S0.79
S3PSHIKIMATE-3-PHOSPHATEA2O0D0.79
S3PSHIKIMATE-3-PHOSPHATEA2GGD0.79
S3PSHIKIMATE-3-PHOSPHATEA2IYY0.79
S3PSHIKIMATE-3-PHOSPHATEA2IYZ0.79
S3PSHIKIMATE-3-PHOSPHATEA2O0E0.79
S3PSHIKIMATE-3-PHOSPHATEA2QFQ0.79
S3PSHIKIMATE-3-PHOSPHATEA1G6T0.79
S3PSHIKIMATE-3-PHOSPHATEA1MI40.79
S3PSHIKIMATE-3-PHOSPHATEA3FK10.79
S3PSHIKIMATE-3-PHOSPHATEA2QFT0.79
S3PSHIKIMATE-3-PHOSPHATEA2QFU0.79
S3PSHIKIMATE-3-PHOSPHATEA2GG60.79
S3PSHIKIMATE-3-PHOSPHATEA2GGA0.79
S3PSHIKIMATE-3-PHOSPHATEA1G6S0.79
S3PSHIKIMATE-3-PHOSPHATEA3FK00.79
S3PSHIKIMATE-3-PHOSPHATEA3FJZ0.79
S3PSHIKIMATE-3-PHOSPHATEA2O0B0.79
S3PSHIKIMATE-3-PHOSPHATEA2QFS0.79
S3PSHIKIMATE-3-PHOSPHATEA,B,C,D1RF60.79
S3PSHIKIMATE-3-PHOSPHATEA3FJX0.79
SC1[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-
1-PHOSPHONOETHOXY)-4-HYDROXY-3-
(PHOSPHONOOXY)-1-CYCLOHEXENE-1-
CARBOXYLIC ACID		A1X8R0.71
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid		A,B2VV40.76