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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00467023

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DGXDIGOXINB,D1IGJ0.74
PIDPERIDININA2C9E0.76
PIDPERIDININM,N,O1PPR0.76
TG1A,B2AGV0.72
TG1A2ZBF0.72
TG1A2ZBG0.72
TG1A,B,C,D1WPG0.72
TG1A2C8L0.72
TG1A2EAR0.72
TG1A,B1IWO0.72
TG1A2C880.72
TG1A2DQS0.72
TG1A2C8K0.72
TG1A1XP50.72
TG1A2EAT0.72
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.81
NEXA,B,C,D,E,F,
G,H,I,J
1RWT0.73
NEXA,B,C2BHW0.73
AURAUROVERTIN BA,B,C,D,E,F1COW0.77
FOKFORSKOLINA,C3C160.7
FOKFORSKOLINA,C1CJU0.7
FOKFORSKOLINA,C1TL70.7
FOKFORSKOLINA,B1AB80.7
FOKFORSKOLINA,C3C140.7
FOKFORSKOLINA,C1CJT0.7
FOKFORSKOLINA,B,C1CUL0.7
FOKFORSKOLINA,C1CJV0.7
FOKFORSKOLINA,C3C150.7
FOKFORSKOLINA,C1U0H0.7
FOKFORSKOLINA,B,C1CS40.7
FOKFORSKOLINA,C1CJK0.7
MRCMUPIROCINA1JZS0.8
MRCMUPIROCINA,T1FFY0.8
MRCMUPIROCINA1QU30.8
MRCMUPIROCINA,T1QU20.8
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.71
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
3G710.74
FUAFUSIDIC ACIDA1QCA0.75
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.75
FUAFUSIDIC ACIDA,B2VUF0.75
FUGFUMAGILLINA,B3FMQ0.75
FUGFUMAGILLINA1BOA0.75
OBNOUABAINH,L1IBG0.77
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.98
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.98
OKAOKADAIC ACIDA1JK70.71
OKAOKADAIC ACIDC2IE40.71
OKAOKADAIC ACIDA1U320.71
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.71
FSCFUSICOCCINA1O9E0.79
FSCFUSICOCCINA,P1O9F0.79
FSCFUSICOCCINA,B2O980.79
CW1Cotylenin AA,B,C,D3E6Y0.72
SXNSalinixanthinA,B3DDL0.73
13T13-DEOXYTEDANOLIDE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTJ0.7
XATA,B,C,D,E,F,
G,H,I,J
1RWT0.71
XATA,B,C2BHW0.71
DTXDIGITOXIGENINA1LNM0.75
SRNSORANGICIN AC,D1YNJ0.75
DOGDIGOXIGENINA1LKE0.75
PRB13-ACETYLPHORBOLA1PTR0.72