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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02188354

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SIMSIMVASTATINA,B,C,D1HW90.73
803LOVASTATINA,B1CQP0.73
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.89
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.89
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.89
0ASasiatic acidA2QN10.75
AS4ALDOSTERONEA2AA20.85
AS4ALDOSTERONEA2Q1H0.85
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,D1AWH0.86
GR4H,I1AWF0.78
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
3G710.78
FOKFORSKOLINA,C3C160.73
FOKFORSKOLINA,C1CJU0.73
FOKFORSKOLINA,C1TL70.73
FOKFORSKOLINA,B1AB80.73
FOKFORSKOLINA,C3C140.73
FOKFORSKOLINA,C1CJT0.73
FOKFORSKOLINA,B,C1CUL0.73
FOKFORSKOLINA,C1CJV0.73
FOKFORSKOLINA,C3C150.73
FOKFORSKOLINA,C1U0H0.73
FOKFORSKOLINA,B,C1CS40.73
FOKFORSKOLINA,C1CJK0.73
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
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.73
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.73
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
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.73
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.79
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.79
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.79
SNLSPIRONOLACTONEA,B2AB20.73
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.73
MOUA,B2NPF0.73
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.88
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.88
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,C1YA80.72
0MAmaslinic acidA2QN20.73
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
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.78
DEXDEXAMETHASONEA,D1M2Z0.88
DEXDEXAMETHASONEA,B,C,D1P930.88
FUAFUSIDIC ACIDA1QCA0.75
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.75
FUAFUSIDIC ACIDA,B2VUF0.75
CA4CYPROTERONE ACETATEA2OZ70.71
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.91
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.77
TESTESTOSTERONEA1JTV0.79
TESTESTOSTERONEA2Q7L0.79
TESTESTOSTERONEA2Q7I0.79
TESTESTOSTERONEA,B1J960.79
TESTESTOSTERONEA2Q7K0.79
TESTESTOSTERONEA,B1Q130.79
TESTESTOSTERONEH1I9J0.79
TESTESTOSTERONEA,B1AFS0.79
TESTESTOSTERONEH1VPO0.79
TESTESTOSTERONEA2Q7J0.79
TESTESTOSTERONEA,B3BUR0.79
TESTESTOSTERONEA2AM90.79
CBOCARBENOXOLONEA,B,C,D1HDC0.8
CBOCARBENOXOLONEA,B,C,D2BEL0.8
2OBCHOLESTERYL OLEATEA2OBD0.77
ZK59ALPHA-FLUOROCORTISOLA1GS40.86
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,B1P8D0.7
PRB13-ACETYLPHORBOLA1PTR0.73
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.75
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.71
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
C0RCORTICOSTERONEA2A3I0.85
C0RCORTICOSTERONEA,B1Y5R0.85
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.77
DTXDIGITOXIGENINA1LNM0.72
1CADESOXYCORTICOSTERONEA,B1Y9R0.8
1CADESOXYCORTICOSTERONEA,B,C2ABI0.8
1CADESOXYCORTICOSTERONEA2Q3Y0.8
1CADESOXYCORTICOSTERONEA2AA70.8
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
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.7
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,B1BUQ0.88
GA3GIBBERELLIN A3A2ZSH0.71
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.71
DOGDIGOXIGENINA1LKE0.73
CLLCHOLESTERYL LINOLEATEA,B1CLE0.77