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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03225614

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.79
SIMSIMVASTATINA,B,C,D1HW90.73
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.71
GA4GIBBERELLIN A4A2ZSI0.74
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.74
GA4GIBBERELLIN A4H,I1KFA0.74
DTXDIGITOXIGENINA1LNM0.87
TESTESTOSTERONEA1JTV0.72
TESTESTOSTERONEA2Q7L0.72
TESTESTOSTERONEA2Q7I0.72
TESTESTOSTERONEA,B1J960.72
TESTESTOSTERONEA2Q7K0.72
TESTESTOSTERONEA,B1Q130.72
TESTESTOSTERONEH1I9J0.72
TESTESTOSTERONEA,B1AFS0.72
TESTESTOSTERONEH1VPO0.72
TESTESTOSTERONEA2Q7J0.72
TESTESTOSTERONEA,B3BUR0.72
TESTESTOSTERONEA2AM90.72
TG1A,B2AGV0.7
TG1A2ZBF0.7
TG1A2ZBG0.7
TG1A,B,C,D1WPG0.7
TG1A2C8L0.7
TG1A2EAR0.7
TG1A,B1IWO0.7
TG1A2C880.7
TG1A2DQS0.7
TG1A2C8K0.7
TG1A1XP50.7
TG1A2EAT0.7
DOGDIGOXIGENINA1LKE0.88
FUAFUSIDIC ACIDA1QCA0.86
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.86
FUAFUSIDIC ACIDA,B2VUF0.86
AS4ALDOSTERONEA2AA20.74
AS4ALDOSTERONEA2Q1H0.74
2OBCHOLESTERYL OLEATEA2OBD0.71
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,I1AWF0.75
CLLCHOLESTERYL LINOLEATEA,B1CLE0.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.76
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.76
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.76
GA3GIBBERELLIN A3A2ZSH0.77
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.77
RGCREIDISPONGIOLIDE CA2ASP0.72
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.72
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.77
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.77
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.77
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
3G710.76
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.74
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.72
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.72
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.72
OBNOUABAINH,L1IBG0.78
C0RCORTICOSTERONEA2A3I0.73
C0RCORTICOSTERONEA,B1Y5R0.73
CBOCARBENOXOLONEA,B,C,D1HDC0.71
CBOCARBENOXOLONEA,B,C,D2BEL0.71
DEXDEXAMETHASONEA,D1M2Z0.72
DEXDEXAMETHASONEA,B,C,D1P930.72
ZK59ALPHA-FLUOROCORTISOLA1GS40.73
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,B1T020.71
114COMPACTINA,B,C,D1HW80.71
DGXDIGOXINB,D1IGJ0.76
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,B1BUQ0.76
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.76
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,D1AWH0.82