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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01726180

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MRCMUPIROCINA1JZS0.71
MRCMUPIROCINA,T1FFY0.71
MRCMUPIROCINA1QU30.71
MRCMUPIROCINA,T1QU20.71
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID
A1IK30.75
EB1SEOCALCITOLA1S0Z0.71
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.73
RCLRICINOLEIC ACIDA2CM40.75
RCLRICINOLEIC ACIDA2CM90.75
RCLRICINOLEIC ACIDA1FK70.75
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A3DBM0.76
MEI(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-
2,4-DIENOIC ACID
A,B1UHL0.71
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID
A1R6W0.72
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID
A1IK30.74
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,B,E1R8Q0.78
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A1RE00.78
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,E1S9D0.78
PG2PROSTAGLANDIN D2A,B1RY00.87
PGX7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-
2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-
YL]-HEPT-5-ENOIC ACID
A,B,C,D1DDX0.88
FUGFUMAGILLINA,B3FMQ0.71
FUGFUMAGILLINA1BOA0.71
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid
A,B2VV40.75
4HD(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-
5,7,10,13,16,19-hexaenoic acid
A,B2VV10.71
803LOVASTATINA,B1CQP0.7
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
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid
A,B2VV40.78
LUX(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-
DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-
OCTADECAHYDRO-BETA,BETA-CAROTENE-
3,3'-DIOL
A,B,C2BHW0.7
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
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.74
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.77
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.77
1NB2-(2-HYDROXY-CYCLOPENTYL)-PENT-
4-ENAL
P1BRU0.71
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid
A,B3DSI0.76
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate
A3D4S0.71
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.73
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid
A,B2VSR0.76
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.7
E2PPROSTAGLANDIN B2A1CZ20.74
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.73
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.84