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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02409000

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HCR7-HYDROXYCHOLESTEROLA1ZHT0.79
HC325-HYDROXYCHOLESTEROLA1ZHX0.81
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,B1P8D0.81
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
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL		A1RKH0.72
114COMPACTINA,B,C,D1HW80.75
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.72
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.72
HC220-HYDROXYCHOLESTEROLA1ZHW0.81
FUAFUSIDIC ACIDA1QCA0.78
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.78
FUAFUSIDIC ACIDA,B2VUF0.78
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.79
VD3(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-
7A-METHYL-1-[(2R)-6-METHYLHEPTAN-
2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-
INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-
CYCLOHEXAN-1-OL		A2GJ50.72
VD3(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-
7A-METHYL-1-[(2R)-6-METHYLHEPTAN-
2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-
INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-
CYCLOHEXAN-1-OL		A,B3C6G0.72
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		A3CS40.72
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
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.74
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.74
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.74
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
CHDCHOLIC ACIDA,B2PNJ0.72
CHDCHOLIC ACIDA,B1HRK0.72
CHDCHOLIC ACIDA,B2PO70.72
CHDCHOLIC ACIDA2QO60.72
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.72
CHDCHOLIC ACIDA2AZY0.72
CHDCHOLIC ACIDA,B,C2DQY0.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.72
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.72
CHDCHOLIC ACIDA,B,C,D2QD10.72
CHDCHOLIC ACIDA2FT90.72
CHDCHOLIC ACIDA,B2HRC0.72
CHDCHOLIC ACIDA,B1TW40.72
CHDCHOLIC ACIDA,B2QD30.72
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.72
CHDCHOLIC ACIDA2RLC0.72
CHDCHOLIC ACIDA,B1ON50.72
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.72
CHDCHOLIC ACIDA,B2QD40.72
CHDCHOLIC ACIDA2QO50.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.72
CHDCHOLIC ACIDA,B2QD20.72
CHDCHOLIC ACIDA,B,C3ELZ0.72
CHDCHOLIC ACIDA,B2PO50.72
CHDCHOLIC ACIDA,B1S9Q0.72
CHDCHOLIC ACIDA,B1EE20.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.72
CHDCHOLIC ACIDA,B,C,D2HRE0.72
CHDCHOLIC ACIDA,B2QD50.72
CHDCHOLIC ACIDA,B3EM00.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.72
CHDCHOLIC ACIDA2QO40.72
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.72
0ASasiatic acidA2QN10.78
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.77
JC1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2S,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol		A2ZXN0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.88
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.88
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.88
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.88
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.88
C0RCORTICOSTERONEA2A3I0.79
C0RCORTICOSTERONEA,B1Y5R0.79
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.72
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.72
TESTESTOSTERONEA1JTV0.84
TESTESTOSTERONEA2Q7L0.84
TESTESTOSTERONEA2Q7I0.84
TESTESTOSTERONEA,B1J960.84
TESTESTOSTERONEA2Q7K0.84
TESTESTOSTERONEA,B1Q130.84
TESTESTOSTERONEH1I9J0.84
TESTESTOSTERONEA,B1AFS0.84
TESTESTOSTERONEH1VPO0.84
TESTESTOSTERONEA2Q7J0.84
TESTESTOSTERONEA,B3BUR0.84
TESTESTOSTERONEA2AM90.84
SNLSPIRONOLACTONEA,B2AB20.77
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.77
AS4ALDOSTERONEA2AA20.78
AS4ALDOSTERONEA2Q1H0.78
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.72
GR4H,I1AWF0.73
SIMSIMVASTATINA,B,C,D1HW90.77
GA3GIBBERELLIN A3A2ZSH0.7
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.7
JN3CHENODEOXYCHOLIC ACIDA2JN30.72
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,B1J780.74
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,D1MZ90.74
803LOVASTATINA,B1CQP0.77
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.73
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol		A,B3CZH0.71
1CADESOXYCORTICOSTERONEA,B1Y9R0.81
1CADESOXYCORTICOSTERONEA,B,C2ABI0.81
1CADESOXYCORTICOSTERONEA2Q3Y0.81
1CADESOXYCORTICOSTERONEA2AA70.81
DEXDEXAMETHASONEA,D1M2Z0.74
DEXDEXAMETHASONEA,B,C,D1P930.74
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
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.73
MOUA,B2NPF0.71
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1RJK0.7
CLLCHOLESTERYL LINOLEATEA,B1CLE0.89
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3		A2HB80.7
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.86
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		A3CS60.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.75
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.83
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
DTXDIGITOXIGENINA1LNM0.75
JB1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2R,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol		A2ZXM0.71
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.7
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.88
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.88
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.88
ZK59ALPHA-FLUOROCORTISOLA1GS40.75
0MAmaslinic acidA2QN20.8
CLRCHOLESTEROLA,B2ZXE0.81
CLRCHOLESTEROLA1N830.81
CLRCHOLESTEROLA2RH10.81
CLRCHOLESTEROLA1LRI0.81
CLRCHOLESTEROLA1ZHY0.81
CLRCHOLESTEROLA3D4S0.81
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.86
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,D1AWH0.83
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2ZBZ0.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1RK30.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1DB10.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE90.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2HC40.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2ZLC0.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A3CV90.7
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.89
CBOCARBENOXOLONEA,B,C,D1HDC0.79
CBOCARBENOXOLONEA,B,C,D2BEL0.79
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,C1YA80.76
LANLANOSTEROLA1W6K0.74
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.77
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.77
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,B1BUQ0.87
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.77
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.77
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.77
ERGERGOSTEROLA1BXM0.78
ERGERGOSTEROLA1ZHZ0.78
ERGERGOSTEROLA,B2AIB0.78
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.84
GA4GIBBERELLIN A4A2ZSI0.71
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.71
GA4GIBBERELLIN A4H,I1KFA0.71
2OBCHOLESTERYL OLEATEA2OBD0.89