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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02509522

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SRNSORANGICIN AC,D1YNJ0.76
FSCFUSICOCCINA1O9E0.72
FSCFUSICOCCINA,P1O9F0.72
FSCFUSICOCCINA,B2O980.72
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,B1BUQ0.74
0ASasiatic acidA2QN10.75
DTXDIGITOXIGENINA1LNM0.81
GA3GIBBERELLIN A3A2ZSH0.74
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.74
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.75
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.75
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.75
PULA2C780.71
SIMSIMVASTATINA,B,C,D1HW90.74
0MAmaslinic acidA2QN20.72
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.75
E7BA,B3E7B0.72
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,B,E1R8Q0.7
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A1RE00.7
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,E1S9D0.7
DOGDIGOXIGENINA1LKE0.82
FOKFORSKOLINA,C3C160.78
FOKFORSKOLINA,C1CJU0.78
FOKFORSKOLINA,C1TL70.78
FOKFORSKOLINA,B1AB80.78
FOKFORSKOLINA,C3C140.78
FOKFORSKOLINA,C1CJT0.78
FOKFORSKOLINA,B,C1CUL0.78
FOKFORSKOLINA,C1CJV0.78
FOKFORSKOLINA,C3C150.78
FOKFORSKOLINA,C1U0H0.78
FOKFORSKOLINA,B,C1CS40.78
FOKFORSKOLINA,C1CJK0.78
PRB13-ACETYLPHORBOLA1PTR0.76
AURAUROVERTIN BA,B,C,D,E,F1COW0.72
DGXDIGOXINB,D1IGJ0.77
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
MRCMUPIROCINA1JZS0.8
MRCMUPIROCINA,T1FFY0.8
MRCMUPIROCINA1QU30.8
MRCMUPIROCINA,T1QU20.8
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,B1T020.72
114COMPACTINA,B,C,D1HW80.72
OBNOUABAINH,L1IBG0.8
RGCREIDISPONGIOLIDE CA2ASP0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.71
GR4H,I1AWF0.74
GA4GIBBERELLIN A4A2ZSI0.7
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.7
GA4GIBBERELLIN A4H,I1KFA0.7
CBOCARBENOXOLONEA,B,C,D1HDC0.72
CBOCARBENOXOLONEA,B,C,D2BEL0.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.75
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.75
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.75
FUGFUMAGILLINA,B3FMQ0.75
FUGFUMAGILLINA1BOA0.75
13T13-DEOXYTEDANOLIDE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTJ0.72
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.78
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.78
OKAOKADAIC ACIDA1JK70.71
OKAOKADAIC ACIDC2IE40.71
OKAOKADAIC ACIDA1U320.71
SXNSalinixanthinA,B3DDL0.74
CXTCARBOXYATRACTYLOSIDEA2C3E0.71
CXTCARBOXYATRACTYLOSIDEA1OKC0.71
PIDPERIDININA2C9E0.77
PIDPERIDININM,N,O1PPR0.77
GMMGLUCOSE MONOMYCOLATEA1UQS0.73
TG1A,B2AGV0.79
TG1A2ZBF0.79
TG1A2ZBG0.79
TG1A,B,C,D1WPG0.79
TG1A2C8L0.79
TG1A2EAR0.79
TG1A,B1IWO0.79
TG1A2C880.79
TG1A2DQS0.79
TG1A2C8K0.79
TG1A1XP50.79
TG1A2EAT0.79
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
3G710.8
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.74
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.7
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.7
FUAFUSIDIC ACIDA1QCA0.82
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.82
FUAFUSIDIC ACIDA,B2VUF0.82
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.73
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.73