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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03227545

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
803LOVASTATINA,B1CQP0.73
2OBCHOLESTERYL OLEATEA2OBD0.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.8
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.89
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.89
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.89
0ASasiatic acidA2QN10.75
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		A3CS60.71
C0RCORTICOSTERONEA2A3I0.83
C0RCORTICOSTERONEA,B1Y5R0.83
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,B1T020.75
GA3GIBBERELLIN A3A2ZSH0.74
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.74
114COMPACTINA,B,C,D1HW80.75
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
DTXDIGITOXIGENINA1LNM0.79
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
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.79
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.7
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.7
MOUA,B2NPF0.72
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.81
OBNOUABAINH,L1IBG0.71
GA4GIBBERELLIN A4A2ZSI0.75
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.75
GA4GIBBERELLIN A4H,I1KFA0.75
0MAmaslinic acidA2QN20.75
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
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
SNLSPIRONOLACTONEA,B2AB20.77
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.77
JN3CHENODEOXYCHOLIC ACIDA2JN30.7
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,C1YA80.72
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.72
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
RGCREIDISPONGIOLIDE CA2ASP0.7
SIMSIMVASTATINA,B,C,D1HW90.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.81
CLLCHOLESTERYL LINOLEATEA,B1CLE0.79
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
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.79
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.7
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.7
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.86
CHDCHOLIC ACIDA,B2PNJ0.7
CHDCHOLIC ACIDA,B1HRK0.7
CHDCHOLIC ACIDA,B2PO70.7
CHDCHOLIC ACIDA2QO60.7
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.7
CHDCHOLIC ACIDA2AZY0.7
CHDCHOLIC ACIDA,B,C2DQY0.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.7
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.7
CHDCHOLIC ACIDA,B,C,D2QD10.7
CHDCHOLIC ACIDA2FT90.7
CHDCHOLIC ACIDA,B2HRC0.7
CHDCHOLIC ACIDA,B1TW40.7
CHDCHOLIC ACIDA,B2QD30.7
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.7
CHDCHOLIC ACIDA2RLC0.7
CHDCHOLIC ACIDA,B1ON50.7
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.7
CHDCHOLIC ACIDA,B2QD40.7
CHDCHOLIC ACIDA2QO50.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.7
CHDCHOLIC ACIDA,B2QD20.7
CHDCHOLIC ACIDA,B,C3ELZ0.7
CHDCHOLIC ACIDA,B2PO50.7
CHDCHOLIC ACIDA,B1S9Q0.7
CHDCHOLIC ACIDA,B1EE20.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.7
CHDCHOLIC ACIDA,B,C,D2HRE0.7
CHDCHOLIC ACIDA,B2QD50.7
CHDCHOLIC ACIDA,B3EM00.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.7
CHDCHOLIC ACIDA2QO40.7
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.7
ZK59ALPHA-FLUOROCORTISOLA1GS40.83
PRB13-ACETYLPHORBOLA1PTR0.75
1CADESOXYCORTICOSTERONEA,B1Y9R0.81
1CADESOXYCORTICOSTERONEA,B,C2ABI0.81
1CADESOXYCORTICOSTERONEA2Q3Y0.81
1CADESOXYCORTICOSTERONEA2AA70.81
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.91
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one		A3B2S0.72
GR4H,I1AWF0.81
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1E3G0.72
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A,B1E3K0.72
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A2AO60.72
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XOW0.72
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XQ30.72
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		A3CS40.71
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
AS4ALDOSTERONEA2AA20.82
AS4ALDOSTERONEA2Q1H0.82
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.83
DOGDIGOXIGENINA1LKE0.78
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
CLRCHOLESTEROLA,B2ZXE0.71
CLRCHOLESTEROLA1N830.71
CLRCHOLESTEROLA2RH10.71
CLRCHOLESTEROLA1LRI0.71
CLRCHOLESTEROLA1ZHY0.71
CLRCHOLESTEROLA3D4S0.71
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE80.71
HC325-HYDROXYCHOLESTEROLA1ZHX0.73
HC220-HYDROXYCHOLESTEROLA1ZHW0.73
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
FUAFUSIDIC ACIDA1QCA0.82
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.82
FUAFUSIDIC ACIDA,B2VUF0.82
CBOCARBENOXOLONEA,B,C,D1HDC0.81
CBOCARBENOXOLONEA,B,C,D2BEL0.81
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
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,B1P8D0.74