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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03225787

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.89
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.89
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.89
CLRCHOLESTEROLA,B2ZXE0.73
CLRCHOLESTEROLA1N830.73
CLRCHOLESTEROLA2RH10.73
CLRCHOLESTEROLA1LRI0.73
CLRCHOLESTEROLA1ZHY0.73
CLRCHOLESTEROLA3D4S0.73
LANLANOSTEROLA1W6K0.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.8
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.8
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.8
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.84
TESTESTOSTERONEA1JTV0.86
TESTESTOSTERONEA2Q7L0.86
TESTESTOSTERONEA2Q7I0.86
TESTESTOSTERONEA,B1J960.86
TESTESTOSTERONEA2Q7K0.86
TESTESTOSTERONEA,B1Q130.86
TESTESTOSTERONEH1I9J0.86
TESTESTOSTERONEA,B1AFS0.86
TESTESTOSTERONEH1VPO0.86
TESTESTOSTERONEA2Q7J0.86
TESTESTOSTERONEA,B3BUR0.86
TESTESTOSTERONEA2AM90.86
SNLSPIRONOLACTONEA,B2AB20.75
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.75
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
3G710.77
0MAmaslinic acidA2QN20.77
2OBCHOLESTERYL OLEATEA2OBD0.81
GR4H,I1AWF0.72
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.87
CA4CYPROTERONE ACETATEA2OZ70.72
DOGDIGOXIGENINA1LKE0.82
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.77
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.81
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.81
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.81
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.81
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.81
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.82
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.81
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.71
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.71
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.71
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.71
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.71
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.71
ASD4-ANDROSTENE-3-17-DIONEA1XF00.71
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.77
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.77
PRB13-ACETYLPHORBOLA1PTR0.71
CLLCHOLESTERYL LINOLEATEA,B1CLE0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.79
ZK59ALPHA-FLUOROCORTISOLA1GS40.82
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.7
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.83
GA3GIBBERELLIN A3A2ZSH0.7
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.7
SIMSIMVASTATINA,B,C,D1HW90.72
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,C1YA80.7
DEXDEXAMETHASONEA,D1M2Z0.81
DEXDEXAMETHASONEA,B,C,D1P930.81
DGXDIGOXINB,D1IGJ0.7
C0RCORTICOSTERONEA2A3I0.87
C0RCORTICOSTERONEA,B1Y5R0.87
DTXDIGITOXIGENINA1LNM0.82
0ASasiatic acidA2QN10.77
STRPROGESTERONEA1H600.71
STRPROGESTERONEA,B,C1YA30.71
STRPROGESTERONEA,B2AA60.71
STRPROGESTERONEA1MRQ0.71
STRPROGESTERONEA,B1A280.71
STRPROGESTERONEA,B2AA50.71
STRPROGESTERONEA2HZQ0.71
STRPROGESTERONEA1W0F0.71
STRPROGESTERONEA2ABA0.71
STRPROGESTERONEA,B3COT0.71
STRPROGESTERONEH1DBB0.71
STRPROGESTERONEH,L2O5Y0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.86
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.86
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.86
1CADESOXYCORTICOSTERONEA,B1Y9R0.87
1CADESOXYCORTICOSTERONEA,B,C2ABI0.87
1CADESOXYCORTICOSTERONEA2Q3Y0.87
1CADESOXYCORTICOSTERONEA2AA70.87
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.72
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.84
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.84
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.7
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.8
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.7
AS4ALDOSTERONEA2AA20.83
AS4ALDOSTERONEA2Q1H0.83
FUAFUSIDIC ACIDA1QCA0.87
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.87
FUAFUSIDIC ACIDA,B2VUF0.87
CO117-[3-(3,3-DIMETHYL-OXIRANYL)-1-
METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
3-OL
A,B1P8D0.73
FOKFORSKOLINA,C3C160.71
FOKFORSKOLINA,C1CJU0.71
FOKFORSKOLINA,C1TL70.71
FOKFORSKOLINA,B1AB80.71
FOKFORSKOLINA,C3C140.71
FOKFORSKOLINA,C1CJT0.71
FOKFORSKOLINA,B,C1CUL0.71
FOKFORSKOLINA,C1CJV0.71
FOKFORSKOLINA,C3C150.71
FOKFORSKOLINA,C1U0H0.71
FOKFORSKOLINA,B,C1CS40.71
FOKFORSKOLINA,C1CJK0.71
HC325-HYDROXYCHOLESTEROLA1ZHX0.73
HC220-HYDROXYCHOLESTEROLA1ZHW0.73
803LOVASTATINA,B1CQP0.71
CBOCARBENOXOLONEA,B,C,D1HDC0.81
CBOCARBENOXOLONEA,B,C,D2BEL0.81
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,D1AWH0.83
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,B1BUQ0.88
OBNOUABAINH,L1IBG0.73
HCR7-HYDROXYCHOLESTEROLA1ZHT0.75
ERGERGOSTEROLA1BXM0.7
ERGERGOSTEROLA1ZHZ0.7
ERGERGOSTEROLA,B2AIB0.7