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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02459264

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DTXDIGITOXIGENINA1LNM0.76
XATA,B,C,D,E,F,
G,H,I,J
1RWT0.73
XATA,B,C2BHW0.73
AURAUROVERTIN BA,B,C,D,E,F1COW0.77
DGXDIGOXINB,D1IGJ0.72
FUGFUMAGILLINA,B3FMQ0.76
FUGFUMAGILLINA1BOA0.76
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.8
FUAFUSIDIC ACIDA1QCA0.73
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.73
FUAFUSIDIC ACIDA,B2VUF0.73
DOGDIGOXIGENINA1LKE0.77
CW1Cotylenin AA,B,C,D3E6Y0.7
PIDPERIDININA2C9E0.77
PIDPERIDININM,N,O1PPR0.77
FSCFUSICOCCINA1O9E0.76
FSCFUSICOCCINA,P1O9F0.76
FSCFUSICOCCINA,B2O980.76
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,B,E1R8Q0.71
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A1RE00.71
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,E1S9D0.71
NEXA,B,C,D,E,F,
G,H,I,J
1RWT0.76
NEXA,B,C2BHW0.76
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.93
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.93
OBNOUABAINH,L1IBG0.75
MRCMUPIROCINA1JZS0.74
MRCMUPIROCINA,T1FFY0.74
MRCMUPIROCINA1QU30.74
MRCMUPIROCINA,T1QU20.74