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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03399799

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MRCMUPIROCINA1JZS0.76
MRCMUPIROCINA,T1FFY0.76
MRCMUPIROCINA1QU30.76
MRCMUPIROCINA,T1QU20.76
803LOVASTATINA,B1CQP0.73
PGX7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-
2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-
YL]-HEPT-5-ENOIC ACID
A,B,C,D1DDX0.8
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.71
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.71
RGCREIDISPONGIOLIDE CA2ASP0.73
PG2PROSTAGLANDIN D2A,B1RY00.8
SIMSIMVASTATINA,B,C,D1HW90.75
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.75
FA12,3 -ANHYDRO-QUINIC ACIDA1H0R0.74
FA12,3 -ANHYDRO-QUINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1GU10.74
FA12,3 -ANHYDRO-QUINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
2C570.74
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid
A,B2VV40.72
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.81
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid
A,B2VV40.75
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B3DSJ0.73
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2RCH0.73
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2VST0.73
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.7
FUGFUMAGILLINA,B3FMQ0.71
FUGFUMAGILLINA1BOA0.71
PRB13-ACETYLPHORBOLA1PTR0.71
5HE(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-
6,8,11,14,17-pentaenoic acid
A,B2VV20.71
MVB(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-
7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-
4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-
1-NAPHTHALENOL
A,B,C1YA80.72
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate
A3D4S0.73
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,B1T020.77
114COMPACTINA,B,C,D1HW80.77
SXNSalinixanthinA,B3DDL0.71
TSO(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
A,B,C,D2W1A0.71
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.76
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid
A,B2VSR0.73
RCLRICINOLEIC ACIDA2CM40.72
RCLRICINOLEIC ACIDA2CM90.72
RCLRICINOLEIC ACIDA1FK70.72
FA32-ANHYDRO-3-FLUORO-QUINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1V1J0.71
DHK3-DEHYDROSHIKIMATEA1WE20.77
DHK3-DEHYDROSHIKIMATEA,B1SFJ0.77
DHK3-DEHYDROSHIKIMATEA,B,C,D,E,F,
G,H,I,J,K,L
1GTZ0.77
DHK3-DEHYDROSHIKIMATEA2O7Q0.77
DHK3-DEHYDROSHIKIMATEA2O7S0.77
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,B,E1R8Q0.75
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A1RE00.75
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,E1S9D0.75
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid
A,B3DSI0.73
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.75
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.75
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.75
0MAmaslinic acidA2QN20.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2IYR0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A3BAF0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A3DOO0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1U8A0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1ZUI0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2EV90.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B,C,D2HK90.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2D5C0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYQ0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2AA90.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1ZYU0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2GPT0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2G1K0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2AAY0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYX0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2DFN0.73
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYS0.73
GMMGLUCOSE MONOMYCOLATEA1UQS0.74
PULA2C780.72
13T13-DEOXYTEDANOLIDE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTJ0.78
0ASasiatic acidA2QN10.71
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID
A1IK30.76
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID
A1IK30.71
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A3DBM0.73
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.74
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.74
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
A,B1ECM0.71
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
2CHT0.71
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
X2GTV0.71
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
H1FIG0.71
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
A,B4CSM0.71
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
A,B3CSM0.71
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID
B2FP20.71
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.7
SRNSORANGICIN AC,D1YNJ0.74
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid
A3DZT0.74