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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03380210

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XATA,B,C,D,E,F,
G,H,I,J
1RWT0.73
XATA,B,C2BHW0.73
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
3G710.7
DGXDIGOXINB,D1IGJ0.73
NEXA,B,C,D,E,F,
G,H,I,J
1RWT0.75
NEXA,B,C2BHW0.75
OBNOUABAINH,L1IBG0.76
PIDPERIDININA2C9E0.8
PIDPERIDININM,N,O1PPR0.8
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.83
FUAFUSIDIC ACIDA1QCA0.74
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.74
FUAFUSIDIC ACIDA,B2VUF0.74
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,B,E1R8Q0.73
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A1RE00.73
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,E1S9D0.73
FUGFUMAGILLINA,B3FMQ0.79
FUGFUMAGILLINA1BOA0.79
AURAUROVERTIN BA,B,C,D,E,F1COW0.8
DTXDIGITOXIGENINA1LNM0.77
DOGDIGOXIGENINA1LKE0.78
FSCFUSICOCCINA1O9E0.76
FSCFUSICOCCINA,P1O9F0.76
FSCFUSICOCCINA,B2O980.76
SRNSORANGICIN AC,D1YNJ0.72
MRCMUPIROCINA1JZS0.77
MRCMUPIROCINA,T1FFY0.77
MRCMUPIROCINA1QU30.77
MRCMUPIROCINA,T1QU20.77
SXNSalinixanthinA,B3DDL0.7
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.92
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.92
PRB13-ACETYLPHORBOLA1PTR0.72