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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03520264

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DTXDIGITOXIGENINA1LNM0.76
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.71
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.71
1CADESOXYCORTICOSTERONEA,B1Y9R0.72
1CADESOXYCORTICOSTERONEA,B,C2ABI0.72
1CADESOXYCORTICOSTERONEA2Q3Y0.72
1CADESOXYCORTICOSTERONEA2AA70.72
SIMSIMVASTATINA,B,C,D1HW90.74
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.76
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.75
CBOCARBENOXOLONEA,B,C,D1HDC0.74
CBOCARBENOXOLONEA,B,C,D2BEL0.74
0ASasiatic acidA2QN10.74
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
803LOVASTATINA,B1CQP0.7
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
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.76
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
TESTESTOSTERONEA1JTV0.75
TESTESTOSTERONEA2Q7L0.75
TESTESTOSTERONEA2Q7I0.75
TESTESTOSTERONEA,B1J960.75
TESTESTOSTERONEA2Q7K0.75
TESTESTOSTERONEA,B1Q130.75
TESTESTOSTERONEH1I9J0.75
TESTESTOSTERONEA,B1AFS0.75
TESTESTOSTERONEH1VPO0.75
TESTESTOSTERONEA2Q7J0.75
TESTESTOSTERONEA,B3BUR0.75
TESTESTOSTERONEA2AM90.75
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.72
114COMPACTINA,B,C,D1HW80.72
C0RCORTICOSTERONEA2A3I0.71
C0RCORTICOSTERONEA,B1Y5R0.71
FOKFORSKOLINA,C3C160.72
FOKFORSKOLINA,C1CJU0.72
FOKFORSKOLINA,C1TL70.72
FOKFORSKOLINA,B1AB80.72
FOKFORSKOLINA,C3C140.72
FOKFORSKOLINA,C1CJT0.72
FOKFORSKOLINA,B,C1CUL0.72
FOKFORSKOLINA,C1CJV0.72
FOKFORSKOLINA,C3C150.72
FOKFORSKOLINA,C1U0H0.72
FOKFORSKOLINA,B,C1CS40.72
FOKFORSKOLINA,C1CJK0.72
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
0MAmaslinic acidA2QN20.74
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
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
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.77
HCR7-HYDROXYCHOLESTEROLA1ZHT0.7
2OBCHOLESTERYL OLEATEA2OBD0.78
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.74
FUAFUSIDIC ACIDA1QCA0.81
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.81
FUAFUSIDIC ACIDA,B2VUF0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.75
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.75
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.75
CLLCHOLESTERYL LINOLEATEA,B1CLE0.78
PRB13-ACETYLPHORBOLA1PTR0.7
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,B1BUQ0.79
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.73
GA3GIBBERELLIN A3A2ZSH0.76
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.76
MVB(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-
7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-
4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-
1-NAPHTHALENOL
A,B,C1YA80.71
DOGDIGOXIGENINA1LKE0.75
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.79
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.79
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.79