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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02453850

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
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
OBNOUABAINH,L1IBG0.79
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.7
AURAUROVERTIN BA,B,C,D,E,F1COW0.73
PIDPERIDININA2C9E0.8
PIDPERIDININM,N,O1PPR0.8
FUGFUMAGILLINA,B3FMQ0.76
FUGFUMAGILLINA1BOA0.76
SWISWINHOLIDE AA,B1YXQ0.75
NEXA,B,C,D,E,F,
G,H,I,J
1RWT0.7
NEXA,B,C2BHW0.7
DGXDIGOXINB,D1IGJ0.78
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE80.72
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
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.7
FUAFUSIDIC ACIDA1QCA0.82
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.82
FUAFUSIDIC ACIDA,B2VUF0.82
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.7
DOGDIGOXIGENINA1LKE0.85
DTXDIGITOXIGENINA1LNM0.84