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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02396941

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FOKFORSKOLINA,C3C160.75
FOKFORSKOLINA,C1CJU0.75
FOKFORSKOLINA,C1TL70.75
FOKFORSKOLINA,B1AB80.75
FOKFORSKOLINA,C3C140.75
FOKFORSKOLINA,C1CJT0.75
FOKFORSKOLINA,B,C1CUL0.75
FOKFORSKOLINA,C1CJV0.75
FOKFORSKOLINA,C3C150.75
FOKFORSKOLINA,C1U0H0.75
FOKFORSKOLINA,B,C1CS40.75
FOKFORSKOLINA,C1CJK0.75
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.79
CBOCARBENOXOLONEA,B,C,D1HDC0.73
CBOCARBENOXOLONEA,B,C,D2BEL0.73
COV(1S,3R,5Z,7E,14beta,17alpha)-17-
[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-
2-methyltetrahydrofuran-2-yl]-9,10-
secoandrosta-5,7,10-triene-1,3-
diol
A3CS40.7
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,B1P8D0.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.8
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.85
2OBCHOLESTERYL OLEATEA2OBD0.71
CLRCHOLESTEROLA,B2ZXE0.7
CLRCHOLESTEROLA1N830.7
CLRCHOLESTEROLA2RH10.7
CLRCHOLESTEROLA1LRI0.7
CLRCHOLESTEROLA1ZHY0.7
CLRCHOLESTEROLA3D4S0.7
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.73
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A2GZ50.74
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A1B590.74
CLLCHOLESTERYL LINOLEATEA,B1CLE0.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.87
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.87
0MAmaslinic acidA2QN20.73
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.8
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.7
1CADESOXYCORTICOSTERONEA,B1Y9R0.84
1CADESOXYCORTICOSTERONEA,B,C2ABI0.84
1CADESOXYCORTICOSTERONEA2Q3Y0.84
1CADESOXYCORTICOSTERONEA2AA70.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.83
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.83
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.83
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.79
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.73
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.73
DEXDEXAMETHASONEA,D1M2Z0.84
DEXDEXAMETHASONEA,B,C,D1P930.84
0CO(1S,3R,5Z,7E,14beta,17alpha,23R)-
23-(2-hydroxy-2-methylpropyl)-20,24-
epoxy-9,10-secochola-5,7,10-triene-
1,3-diol
A3CS60.7
OBNOUABAINH,L1IBG0.72
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
C0RCORTICOSTERONEA2A3I0.84
C0RCORTICOSTERONEA,B1Y5R0.84
ZK59ALPHA-FLUOROCORTISOLA1GS40.86
MOUA,B2NPF0.71
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
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,D1AWH0.79
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,B1BUQ0.8
HC325-HYDROXYCHOLESTEROLA1ZHX0.72
FUAFUSIDIC ACIDA1QCA0.76
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.76
FUAFUSIDIC ACIDA,B2VUF0.76
GR4H,I1AWF0.79
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
PRB13-ACETYLPHORBOLA1PTR0.74
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
3G710.79
HC220-HYDROXYCHOLESTEROLA1ZHW0.72
0ASasiatic acidA2QN10.76
DOGDIGOXIGENINA1LKE0.74
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE80.71
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.81
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.81
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.81
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.75
AS4ALDOSTERONEA2AA20.81
AS4ALDOSTERONEA2Q1H0.81
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.74
TESTESTOSTERONEA1JTV0.83
TESTESTOSTERONEA2Q7L0.83
TESTESTOSTERONEA2Q7I0.83
TESTESTOSTERONEA,B1J960.83
TESTESTOSTERONEA2Q7K0.83
TESTESTOSTERONEA,B1Q130.83
TESTESTOSTERONEH1I9J0.83
TESTESTOSTERONEA,B1AFS0.83
TESTESTOSTERONEH1VPO0.83
TESTESTOSTERONEA2Q7J0.83
TESTESTOSTERONEA,B3BUR0.83
TESTESTOSTERONEA2AM90.83
SIMSIMVASTATINA,B,C,D1HW90.71
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.76
DTXDIGITOXIGENINA1LNM0.73
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.76
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.76
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.76
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.76