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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02477230

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.73
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.73
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.73
0CO(1S,3R,5Z,7E,14beta,17alpha,23R)-
23-(2-hydroxy-2-methylpropyl)-20,24-
epoxy-9,10-secochola-5,7,10-triene-
1,3-diol
A3CS60.71
PIDPERIDININA2C9E0.76
PIDPERIDININM,N,O1PPR0.76
FUGFUMAGILLINA,B3FMQ0.8
FUGFUMAGILLINA1BOA0.8
NEXA,B,C,D,E,F,
G,H,I,J
1RWT0.74
NEXA,B,C2BHW0.74
SWISWINHOLIDE AA,B1YXQ0.72
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE80.74
0ASasiatic acidA2QN10.74
JB1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2R,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol
A2ZXM0.7
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.72
NTHSUCCINIC ACID MONO-(13-METHYL-3-
OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
17-YL) ESTER
A,B1BUQ0.72
AURAUROVERTIN BA,B,C,D,E,F1COW0.77
DGXDIGOXINB,D1IGJ0.77
SIMSIMVASTATINA,B,C,D1HW90.7
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.76
DOGDIGOXIGENINA1LKE0.83
SXNSalinixanthinA,B3DDL0.71
OBNOUABAINH,L1IBG0.8
FOKFORSKOLINA,C3C160.72
FOKFORSKOLINA,C1CJU0.72
FOKFORSKOLINA,C1TL70.72
FOKFORSKOLINA,B1AB80.72
FOKFORSKOLINA,C3C140.72
FOKFORSKOLINA,C1CJT0.72
FOKFORSKOLINA,B,C1CUL0.72
FOKFORSKOLINA,C1CJV0.72
FOKFORSKOLINA,C3C150.72
FOKFORSKOLINA,C1U0H0.72
FOKFORSKOLINA,B,C1CS40.72
FOKFORSKOLINA,C1CJK0.72
0MAmaslinic acidA2QN20.74
FSCFUSICOCCINA1O9E0.75
FSCFUSICOCCINA,P1O9F0.75
FSCFUSICOCCINA,B2O980.75
XATA,B,C,D,E,F,
G,H,I,J
1RWT0.72
XATA,B,C2BHW0.72
CBOCARBENOXOLONEA,B,C,D1HDC0.72
CBOCARBENOXOLONEA,B,C,D2BEL0.72
MRCMUPIROCINA1JZS0.78
MRCMUPIROCINA,T1FFY0.78
MRCMUPIROCINA1QU30.78
MRCMUPIROCINA,T1QU20.78
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.78
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.78
WINmethyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-
15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-
3,11,12-trihydroxy-2,16-dioxo-13,20-
epoxypicras-3-en-21-oate
0,1,2,3,9,A,
B,C,F,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
3G710.71
COV(1S,3R,5Z,7E,14beta,17alpha)-17-
[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-
2-methyltetrahydrofuran-2-yl]-9,10-
secoandrosta-5,7,10-triene-1,3-
diol
A3CS40.71
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.76
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.72
HCR7-HYDROXYCHOLESTEROLA1ZHT0.7
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,B,E1R8Q0.76
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A1RE00.76
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,E1S9D0.76
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.7
FUAFUSIDIC ACIDA1QCA0.83
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.83
FUAFUSIDIC ACIDA,B2VUF0.83
JC1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2S,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol
A2ZXN0.7
SRNSORANGICIN AC,D1YNJ0.73
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.73
DTXDIGITOXIGENINA1LNM0.84
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.72
PRB13-ACETYLPHORBOLA1PTR0.72