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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02484483

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.74
MRCMUPIROCINA1JZS0.71
MRCMUPIROCINA,T1FFY0.71
MRCMUPIROCINA1QU30.71
MRCMUPIROCINA,T1QU20.71
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.79
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
3G710.86
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,B1BUQ0.73
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
FOKFORSKOLINA,C3C160.74
FOKFORSKOLINA,C1CJU0.74
FOKFORSKOLINA,C1TL70.74
FOKFORSKOLINA,B1AB80.74
FOKFORSKOLINA,C3C140.74
FOKFORSKOLINA,C1CJT0.74
FOKFORSKOLINA,B,C1CUL0.74
FOKFORSKOLINA,C1CJV0.74
FOKFORSKOLINA,C3C150.74
FOKFORSKOLINA,C1U0H0.74
FOKFORSKOLINA,B,C1CS40.74
FOKFORSKOLINA,C1CJK0.74
GR4H,I1AWF0.77
DOGDIGOXIGENINA1LKE0.71
CBOCARBENOXOLONEA,B,C,D1HDC0.7
CBOCARBENOXOLONEA,B,C,D2BEL0.7
OKAOKADAIC ACIDA1JK70.73
OKAOKADAIC ACIDC2IE40.73
OKAOKADAIC ACIDA1U320.73
MOUA,B2NPF0.73
DGXDIGOXINB,D1IGJ0.72
FUAFUSIDIC ACIDA1QCA0.74
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.74
FUAFUSIDIC ACIDA,B2VUF0.74
PXTPECTENOTOXIN-2A2Q0U0.7
PXTPECTENOTOXIN-2A2Q0R0.7
SXNSalinixanthinA,B3DDL0.71
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.72
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.72
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.72
GA3GIBBERELLIN A3A2ZSH0.7
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.7
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,D1AWH0.71
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.7
DTXDIGITOXIGENINA1LNM0.7
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.75
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.75
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
C0RCORTICOSTERONEA2A3I0.73
C0RCORTICOSTERONEA,B1Y5R0.73
0ASasiatic acidA2QN10.71
DEXDEXAMETHASONEA,D1M2Z0.72
DEXDEXAMETHASONEA,B,C,D1P930.72
OBNOUABAINH,L1IBG0.74
ZK59ALPHA-FLUOROCORTISOLA1GS40.73
AS4ALDOSTERONEA2AA20.71
AS4ALDOSTERONEA2Q1H0.71
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.74
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.74
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.74
PRB13-ACETYLPHORBOLA1PTR0.77
SRNSORANGICIN AC,D1YNJ0.74