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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02508202

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
CW1Cotylenin AA,B,C,D3E6Y0.76
FUAFUSIDIC ACIDA1QCA0.78
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.78
FUAFUSIDIC ACIDA,B2VUF0.78
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.73
SXNSalinixanthinA,B3DDL0.71
DTXDIGITOXIGENINA1LNM0.83
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.73
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
DGXDIGOXINB,D1IGJ0.83
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
FUGFUMAGILLINA,B3FMQ0.73
FUGFUMAGILLINA1BOA0.73
PIDPERIDININA2C9E0.72
PIDPERIDININM,N,O1PPR0.72
FSCFUSICOCCINA1O9E0.76
FSCFUSICOCCINA,P1O9F0.76
FSCFUSICOCCINA,B2O980.76
OBNOUABAINH,L1IBG0.86
DOGDIGOXIGENINA1LKE0.84
AURAUROVERTIN BA,B,C,D,E,F1COW0.71