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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02405321

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
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate		A3D4S0.72
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID		A1IK30.75
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.71
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID		A1R6W0.78
ODT(11E,13E,15Z)-OCTADECA-11,13,15-
TRIENOIC ACID		A2BAC0.71
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,C1YA80.75
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,C2BHW0.79
0ASasiatic acidA2QN10.7
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.78
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid		A,B2VV40.75
SIMSIMVASTATINA,B,C,D1HW90.78
RCLRICINOLEIC ACIDA2CM40.78
RCLRICINOLEIC ACIDA2CM90.78
RCLRICINOLEIC ACIDA1FK70.78
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.71
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		A,B1ECM0.7
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		2CHT0.7
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		X2GTV0.7
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		H1FIG0.7
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		A,B4CSM0.7
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		A,B3CSM0.7
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		B2FP20.7
CDZ3,5-dihydroxy-4,6,6-tris(3-methylbut-
2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-
2,4-dien-1-one		A2QNV0.74
ODD(10E,12Z)-OCTADECA-10,12-DIENOIC ACIDA2BAB0.72
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID		A1IK30.77
0MAmaslinic acidA2QN20.74
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid		A,B2VV40.78
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A3DBM0.83
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.72
AXTASTAXANTHINA,B1GKA0.77
3ON(3R)-3-HYDROXY-8'-APOCAROTENOLA,B,C,D2BIW0.82
OXR4-OXORETINOLA,B1X8L0.79
2OBCHOLESTERYL OLEATEA2OBD0.72
PG2PROSTAGLANDIN D2A,B1RY00.75
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID		A,B2G5W0.78
SXNSalinixanthinA,B3DDL0.75
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE		A,B2HFK0.73
E2PPROSTAGLANDIN B2A1CZ20.74
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid		A,B3DSI0.83
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid		A3DZT0.75
803LOVASTATINA,B1CQP0.76
114COMPACTINA,B,C,D1HW80.76
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid		A,B2VSR0.83
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,B1T020.76
RGCREIDISPONGIOLIDE CA2ASP0.71
TSO(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		A,B,C,D2W1A0.7
MEI(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-
2,4-DIENOIC ACID		A,B1UHL0.74
LUT(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-
BETA,BETA-CAROTENE-3,3'-DIOL		A,B,C,D,E,F,
G,H,I,J		1RWT0.78
5HE(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-
6,8,11,14,17-pentaenoic acid		A,B2VV20.72
RTLRETINOLA1IIU0.71
RTLRETINOLA1KT70.71
RTLRETINOLA1KT30.71
RTLRETINOLA1KT50.71
RTLRETINOLA1CRB0.71
RTLRETINOLA1HBP0.71
RTLRETINOLA1EII0.71
RTLRETINOLA1KT60.71
RTLRETINOLA1BRP0.71
RTLRETINOLE,F1QAB0.71
RTLRETINOLE,F3BSZ0.71
RTLRETINOLA,B1FML0.71
RTLRETINOLA1KT40.71
RTLRETINOLA1RBP0.71
RTLRETINOLA1KGL0.71
RTLRETINOLA1MX80.71
RTLRETINOLA,B1FMJ0.71
RTLRETINOLB1FBM0.71
RTLRETINOLA1KQW0.71
RTLRETINOLA2RCT0.71
RTLRETINOLA1AQB0.71
RTLRETINOLA1GX80.71
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B2RCL0.75
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B3DSK0.75
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.78
HEQ3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-
CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-
OCTADECA-1,3,5,7,9,11,13,15, 17-
NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-
2-ENONE		A,B1M980.79
PGX7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-
2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-
YL]-HEPT-5-ENOIC ACID		A,B,C,D1DDX0.72
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B3DSJ0.83
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2RCH0.83
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2VST0.83
CLLCHOLESTERYL LINOLEATEA,B1CLE0.72
REARETINOIC ACIDA1CBS0.73
REARETINOIC ACIDA,B1EPB0.73
REARETINOIC ACIDA,D1K740.73
REARETINOIC ACIDA,D3E000.73
REARETINOIC ACIDA3LBD0.73
REARETINOIC ACIDA,B,C,D,E,F,
G,H		1XLS0.73
REARETINOIC ACIDA,B,C,D,E,F,
G,H		2ACL0.73
REARETINOIC ACIDA,B,C,D3FAL0.73
REARETINOIC ACIDA,D,U,X1FM60.73
REARETINOIC ACIDE,F1RLB0.73
REARETINOIC ACIDA,D3DZU0.73
REARETINOIC ACIDA3CWK0.73
REARETINOIC ACIDA,B2NNH0.73
REARETINOIC ACIDA,B2VE30.73
REARETINOIC ACIDA1N4H0.73
REARETINOIC ACIDA2FR30.73
REARETINOIC ACIDB,C1G5Y0.73
REARETINOIC ACIDA2LBD0.73
REARETINOIC ACIDA,B,E,F1XDK0.73
REARETINOIC ACIDA,D1FM90.73
REARETINOIC ACIDA1FEM0.73
REARETINOIC ACIDA,D3DZY0.73
REARETINOIC ACIDA,B1TYR0.73
REARETINOIC ACIDA2G780.73
REARETINOIC ACIDA1GX90.73
REARETINOIC ACIDA,B,C,D3FC60.73
REARETINOIC ACIDA,B1CBR0.73
REARETINOIC ACIDA,B1FBY0.73
REARETINOIC ACIDA,B1XIU0.73
4HD(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-
5,7,10,13,16,19-hexaenoic acid		A,B2VV10.72