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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03287072

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SIMSIMVASTATINA,B,C,D1HW90.73
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.79
DGXDIGOXINB,D1IGJ0.73
PRB13-ACETYLPHORBOLA1PTR0.71
TG1A,B2AGV0.75
TG1A2ZBF0.75
TG1A2ZBG0.75
TG1A,B,C,D1WPG0.75
TG1A2C8L0.75
TG1A2EAR0.75
TG1A,B1IWO0.75
TG1A2C880.75
TG1A2DQS0.75
TG1A2C8K0.75
TG1A1XP50.75
TG1A2EAT0.75
FUAFUSIDIC ACIDA1QCA0.74
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.74
FUAFUSIDIC ACIDA,B2VUF0.74
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.71
GMMGLUCOSE MONOMYCOLATEA1UQS0.71
FOKFORSKOLINA,C3C160.72
FOKFORSKOLINA,C1CJU0.72
FOKFORSKOLINA,C1TL70.72
FOKFORSKOLINA,B1AB80.72
FOKFORSKOLINA,C3C140.72
FOKFORSKOLINA,C1CJT0.72
FOKFORSKOLINA,B,C1CUL0.72
FOKFORSKOLINA,C1CJV0.72
FOKFORSKOLINA,C3C150.72
FOKFORSKOLINA,C1U0H0.72
FOKFORSKOLINA,B,C1CS40.72
FOKFORSKOLINA,C1CJK0.72
GR4H,I1AWF0.71
OKAOKADAIC ACIDA1JK70.71
OKAOKADAIC ACIDC2IE40.71
OKAOKADAIC ACIDA1U320.71
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
3G710.76
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
MRCMUPIROCINA1JZS0.77
MRCMUPIROCINA,T1FFY0.77
MRCMUPIROCINA1QU30.77
MRCMUPIROCINA,T1QU20.77
DOGDIGOXIGENINA1LKE0.74
SRNSORANGICIN AC,D1YNJ0.75
AURAUROVERTIN BA,B,C,D,E,F1COW0.79
LVA(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-
DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-
1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL)-3,5-DIHYDROXYHEPTANOIC ACID
A,B1T020.71
114COMPACTINA,B,C,D1HW80.71
DTXDIGITOXIGENINA1LNM0.73
PIDPERIDININA2C9E0.75
PIDPERIDININM,N,O1PPR0.75
NEXA,B,C,D,E,F,
G,H,I,J
1RWT0.71
NEXA,B,C2BHW0.71
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
GA3GIBBERELLIN A3A2ZSH0.71
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.71
AB03,7:6,10:9,14-TRIANHYDRO-2,5,11,12,13-
PENTADEOXY-4-O-(METHOXYMETHYL)-
L-ARABINO-L-ALLO-TETRADEC-12-ENONIC ACID
H,L2E270.72
FUGFUMAGILLINA,B3FMQ0.72
FUGFUMAGILLINA1BOA0.72
OBNOUABAINH,L1IBG0.75