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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00457658

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.73
0ASasiatic acidA2QN10.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.81
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.85
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A1LHV0.75
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A,B3D900.75
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.76
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B1SQN0.75
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B2W8Y0.75
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,D1AWH0.77
DEXDEXAMETHASONEA,D1M2Z0.94
DEXDEXAMETHASONEA,B,C,D1P930.94
PRB13-ACETYLPHORBOLA1PTR0.71
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		3G710.75
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.7
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
GR4H,I1AWF0.74
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.89
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.89
0MAmaslinic acidA2QN20.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.84
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.85
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.85
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.85
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.78
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
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE		A2GZ50.71
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE		A1B590.71
TESTESTOSTERONEA1JTV0.81
TESTESTOSTERONEA2Q7L0.81
TESTESTOSTERONEA2Q7I0.81
TESTESTOSTERONEA,B1J960.81
TESTESTOSTERONEA2Q7K0.81
TESTESTOSTERONEA,B1Q130.81
TESTESTOSTERONEH1I9J0.81
TESTESTOSTERONEA,B1AFS0.81
TESTESTOSTERONEH1VPO0.81
TESTESTOSTERONEA2Q7J0.81
TESTESTOSTERONEA,B3BUR0.81
TESTESTOSTERONEA2AM90.81
AS4ALDOSTERONEA2AA20.83
AS4ALDOSTERONEA2Q1H0.83
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.72
SIMSIMVASTATINA,B,C,D1HW90.71
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.76
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.76
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.76
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one		A3B2S0.73
1CADESOXYCORTICOSTERONEA,B1Y9R0.82
1CADESOXYCORTICOSTERONEA,B,C2ABI0.82
1CADESOXYCORTICOSTERONEA2Q3Y0.82
1CADESOXYCORTICOSTERONEA2AA70.82
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.77
C0RCORTICOSTERONEA2A3I0.86
C0RCORTICOSTERONEA,B1Y5R0.86
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
ZK59ALPHA-FLUOROCORTISOLA1GS40.92