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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02505274

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RGCREIDISPONGIOLIDE CA2ASP0.75
PULA2C780.71
13T13-DEOXYTEDANOLIDE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTJ0.81
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
3G710.72
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.81
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.75
OKAOKADAIC ACIDA1JK70.73
OKAOKADAIC ACIDC2IE40.73
OKAOKADAIC ACIDA1U320.73
FSCFUSICOCCINA1O9E0.74
FSCFUSICOCCINA,P1O9F0.74
FSCFUSICOCCINA,B2O980.74
PRB13-ACETYLPHORBOLA1PTR0.76
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
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.71
PXTPECTENOTOXIN-2A2Q0U0.7
PXTPECTENOTOXIN-2A2Q0R0.7
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.71
FOKFORSKOLINA,C3C160.77
FOKFORSKOLINA,C1CJU0.77
FOKFORSKOLINA,C1TL70.77
FOKFORSKOLINA,B1AB80.77
FOKFORSKOLINA,C3C140.77
FOKFORSKOLINA,C1CJT0.77
FOKFORSKOLINA,B,C1CUL0.77
FOKFORSKOLINA,C1CJV0.77
FOKFORSKOLINA,C3C150.77
FOKFORSKOLINA,C1U0H0.77
FOKFORSKOLINA,B,C1CS40.77
FOKFORSKOLINA,C1CJK0.77
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
SRNSORANGICIN AC,D1YNJ0.7
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.71
SIMSIMVASTATINA,B,C,D1HW90.71
SXNSalinixanthinA,B3DDL0.72
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A2GZ50.8
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A1B590.8
GMMGLUCOSE MONOMYCOLATEA1UQS0.7
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
DEXDEXAMETHASONEA,D1M2Z0.7
DEXDEXAMETHASONEA,B,C,D1P930.7
MRCMUPIROCINA1JZS0.74
MRCMUPIROCINA,T1FFY0.74
MRCMUPIROCINA1QU30.74
MRCMUPIROCINA,T1QU20.74