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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02519009

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
E7BA,B3E7B0.7
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.74
SRNSORANGICIN AC,D1YNJ0.71
PXTPECTENOTOXIN-2A2Q0U0.73
PXTPECTENOTOXIN-2A2Q0R0.73
TG1A,B2AGV0.77
TG1A2ZBF0.77
TG1A2ZBG0.77
TG1A,B,C,D1WPG0.77
TG1A2C8L0.77
TG1A2EAR0.77
TG1A,B1IWO0.77
TG1A2C880.77
TG1A2DQS0.77
TG1A2C8K0.77
TG1A1XP50.77
TG1A2EAT0.77
OKAOKADAIC ACIDA1JK70.72
OKAOKADAIC ACIDC2IE40.72
OKAOKADAIC ACIDA1U320.72
GR4H,I1AWF0.77
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.76
13T13-DEOXYTEDANOLIDE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTJ0.71
GA3GIBBERELLIN A3A2ZSH0.73
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.73
GR33-ACETOXY-17-(1-FORMYL-5-METHYL-
3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-
TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-
4-CARBOXYLIC ACID
B,D1AWH0.73
NTHSUCCINIC ACID MONO-(13-METHYL-3-
OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
17-YL) ESTER
A,B1BUQ0.7
DGXDIGOXINB,D1IGJ0.7
MOUA,B2NPF0.71
FOKFORSKOLINA,C3C160.8
FOKFORSKOLINA,C1CJU0.8
FOKFORSKOLINA,C1TL70.8
FOKFORSKOLINA,B1AB80.8
FOKFORSKOLINA,C3C140.8
FOKFORSKOLINA,C1CJT0.8
FOKFORSKOLINA,B,C1CUL0.8
FOKFORSKOLINA,C1CJV0.8
FOKFORSKOLINA,C3C150.8
FOKFORSKOLINA,C1U0H0.8
FOKFORSKOLINA,B,C1CS40.8
FOKFORSKOLINA,C1CJK0.8
ZK59ALPHA-FLUOROCORTISOLA1GS40.7
FUAFUSIDIC ACIDA1QCA0.71
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.71
FUAFUSIDIC ACIDA,B2VUF0.71
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.72
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.74
PRB13-ACETYLPHORBOLA1PTR0.74
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
3G710.99
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71
OBNOUABAINH,L1IBG0.73
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.72
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.73