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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03372783

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MRCMUPIROCINA1JZS0.76
MRCMUPIROCINA,T1FFY0.76
MRCMUPIROCINA1QU30.76
MRCMUPIROCINA,T1QU20.76
SRNSORANGICIN AC,D1YNJ0.71
DGXDIGOXINB,D1IGJ0.74
PIDPERIDININA2C9E0.76
PIDPERIDININM,N,O1PPR0.76
FUAFUSIDIC ACIDA1QCA0.72
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.72
FUAFUSIDIC ACIDA,B2VUF0.72
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.7
NEXA,B,C,D,E,F,
G,H,I,J
1RWT0.74
NEXA,B,C2BHW0.74
OBNOUABAINH,L1IBG0.76
FSCFUSICOCCINA1O9E0.78
FSCFUSICOCCINA,P1O9F0.78
FSCFUSICOCCINA,B2O980.78
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.8
XATA,B,C,D,E,F,
G,H,I,J
1RWT0.72
XATA,B,C2BHW0.72
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
CW1Cotylenin AA,B,C,D3E6Y0.72
FUGFUMAGILLINA,B3FMQ0.74
FUGFUMAGILLINA1BOA0.74
PRB13-ACETYLPHORBOLA1PTR0.7
AURAUROVERTIN BA,B,C,D,E,F1COW0.79
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.7
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.96
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.96
DOGDIGOXIGENINA1LKE0.75
DTXDIGITOXIGENINA1LNM0.74