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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03323615

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
0ASasiatic acidA2QN10.75
C0RCORTICOSTERONEA2A3I0.83
C0RCORTICOSTERONEA,B1Y5R0.83
DTXDIGITOXIGENINA1LNM0.81
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
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.79
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
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.72
SIMSIMVASTATINA,B,C,D1HW90.75
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,B1T020.74
114COMPACTINA,B,C,D1HW80.74
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one		A3B2S0.71
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE80.7
MOUA,B2NPF0.73
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		A3CS40.73
GA3GIBBERELLIN A3A2ZSH0.77
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.77
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
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.8
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,D1AWH0.85
DOGDIGOXIGENINA1LKE0.8
803LOVASTATINA,B1CQP0.72
DEXDEXAMETHASONEA,D1M2Z0.81
DEXDEXAMETHASONEA,B,C,D1P930.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.82
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.82
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.82
0MAmaslinic acidA2QN20.74
GA4GIBBERELLIN A4A2ZSI0.78
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.78
GA4GIBBERELLIN A4H,I1KFA0.78
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.86
ZK59ALPHA-FLUOROCORTISOLA1GS40.83
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.85
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.85
2OBCHOLESTERYL OLEATEA2OBD0.77
PRB13-ACETYLPHORBOLA1PTR0.73
HC325-HYDROXYCHOLESTEROLA1ZHX0.72
AS4ALDOSTERONEA2AA20.82
AS4ALDOSTERONEA2Q1H0.82
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.71
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,B1P8D0.72
HC220-HYDROXYCHOLESTEROLA1ZHW0.72
1CADESOXYCORTICOSTERONEA,B1Y9R0.79
1CADESOXYCORTICOSTERONEA,B,C2ABI0.79
1CADESOXYCORTICOSTERONEA2Q3Y0.79
1CADESOXYCORTICOSTERONEA2AA70.79
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.86
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.86
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.86
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.81
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.92
SNLSPIRONOLACTONEA,B2AB20.79
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.79
TESTESTOSTERONEA1JTV0.82
TESTESTOSTERONEA2Q7L0.82
TESTESTOSTERONEA2Q7I0.82
TESTESTOSTERONEA,B1J960.82
TESTESTOSTERONEA2Q7K0.82
TESTESTOSTERONEA,B1Q130.82
TESTESTOSTERONEH1I9J0.82
TESTESTOSTERONEA,B1AFS0.82
TESTESTOSTERONEH1VPO0.82
TESTESTOSTERONEA2Q7J0.82
TESTESTOSTERONEA,B3BUR0.82
TESTESTOSTERONEA2AM90.82
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.78
JN3CHENODEOXYCHOLIC ACIDA2JN30.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.78
FUAFUSIDIC ACIDA1QCA0.82
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.82
FUAFUSIDIC ACIDA,B2VUF0.82
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		A3CS60.73
CBOCARBENOXOLONEA,B,C,D1HDC0.81
CBOCARBENOXOLONEA,B,C,D2BEL0.81
GR4H,I1AWF0.8
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
SODA2E1R0.7
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
CLLCHOLESTERYL LINOLEATEA,B1CLE0.77
DGXDIGOXINB,D1IGJ0.71
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
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.71
CHDCHOLIC ACIDA,B2PNJ0.71
CHDCHOLIC ACIDA,B1HRK0.71
CHDCHOLIC ACIDA,B2PO70.71
CHDCHOLIC ACIDA2QO60.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.71
CHDCHOLIC ACIDA2AZY0.71
CHDCHOLIC ACIDA,B,C2DQY0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.71
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.71
CHDCHOLIC ACIDA,B,C,D2QD10.71
CHDCHOLIC ACIDA2FT90.71
CHDCHOLIC ACIDA,B2HRC0.71
CHDCHOLIC ACIDA,B1TW40.71
CHDCHOLIC ACIDA,B2QD30.71
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.71
CHDCHOLIC ACIDA2RLC0.71
CHDCHOLIC ACIDA,B1ON50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.71
CHDCHOLIC ACIDA,B2QD40.71
CHDCHOLIC ACIDA2QO50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.71
CHDCHOLIC ACIDA,B2QD20.71
CHDCHOLIC ACIDA,B,C3ELZ0.71
CHDCHOLIC ACIDA,B2PO50.71
CHDCHOLIC ACIDA,B1S9Q0.71
CHDCHOLIC ACIDA,B1EE20.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.71
CHDCHOLIC ACIDA,B,C,D2HRE0.71
CHDCHOLIC ACIDA,B2QD50.71
CHDCHOLIC ACIDA,B3EM00.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.71
CHDCHOLIC ACIDA2QO40.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.71
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