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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02477227

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
3G710.7
DTXDIGITOXIGENINA1LNM0.81
FUGFUMAGILLINA,B3FMQ0.8
FUGFUMAGILLINA1BOA0.8
AURAUROVERTIN BA,B,C,D,E,F1COW0.73
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
DGXDIGOXINB,D1IGJ0.75
CBOCARBENOXOLONEA,B,C,D1HDC0.7
CBOCARBENOXOLONEA,B,C,D2BEL0.7
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.71
DOGDIGOXIGENINA1LKE0.8
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,B,E1R8Q0.73
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A1RE00.73
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,E1S9D0.73
FSCFUSICOCCINA1O9E0.73
FSCFUSICOCCINA,P1O9F0.73
FSCFUSICOCCINA,B2O980.73
MRCMUPIROCINA1JZS0.78
MRCMUPIROCINA,T1FFY0.78
MRCMUPIROCINA1QU30.78
MRCMUPIROCINA,T1QU20.78
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
0MAmaslinic acidA2QN20.71
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.7
TG1A,B2AGV0.71
TG1A2ZBF0.71
TG1A2ZBG0.71
TG1A,B,C,D1WPG0.71
TG1A2C8L0.71
TG1A2EAR0.71
TG1A,B1IWO0.71
TG1A2C880.71
TG1A2DQS0.71
TG1A2C8K0.71
TG1A1XP50.71
TG1A2EAT0.71
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.71
PRB13-ACETYLPHORBOLA1PTR0.73
SWISWINHOLIDE AA,B1YXQ0.71
PIDPERIDININA2C9E0.77
PIDPERIDININM,N,O1PPR0.77
OBNOUABAINH,L1IBG0.78
SRNSORANGICIN AC,D1YNJ0.72
0ASasiatic acidA2QN10.71
FUAFUSIDIC ACIDA1QCA0.82
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.82
FUAFUSIDIC ACIDA,B2VUF0.82
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71
SXNSalinixanthinA,B3DDL0.7