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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02421685

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D1AWH0.78
0ASasiatic acidA2QN10.75
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,B1P8D0.76
DEXDEXAMETHASONEA,D1M2Z0.83
DEXDEXAMETHASONEA,B,C,D1P930.83
LANLANOSTEROLA1W6K0.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.83
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.75
MOUA,B2NPF0.7
FUAFUSIDIC ACIDA1QCA0.72
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.72
FUAFUSIDIC ACIDA,B2VUF0.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.9
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.9
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.9
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.73
HCR7-HYDROXYCHOLESTEROLA1ZHT0.76
HC220-HYDROXYCHOLESTEROLA1ZHW0.79
2OBCHOLESTERYL OLEATEA2OBD0.76
SIMSIMVASTATINA,B,C,D1HW90.74
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		3G710.72
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.87
0MAmaslinic acidA2QN20.77
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)		A2HCD0.73
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.73
HC325-HYDROXYCHOLESTEROLA1ZHX0.79
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,B1J780.73
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,D1MZ90.73
GR4H,I1AWF0.75
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
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,B1BUQ0.77
VD5(1R,3R,7E,17E)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol		A2O4R0.71
CLLCHOLESTERYL LINOLEATEA,B1CLE0.76
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL		A1RKH0.74
803LOVASTATINA,B1CQP0.7
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.78
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.78
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.78
AS4ALDOSTERONEA2AA20.86
AS4ALDOSTERONEA2Q1H0.86
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,B1T020.72
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3		A2HAR0.74
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE		A2GZ50.73
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE		A1B590.73
114COMPACTINA,B,C,D1HW80.72
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
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.8
C0RCORTICOSTERONEA2A3I0.88
C0RCORTICOSTERONEA,B1Y5R0.88
CLRCHOLESTEROLA,B2ZXE0.77
CLRCHOLESTEROLA1N830.77
CLRCHOLESTEROLA2RH10.77
CLRCHOLESTEROLA1LRI0.77
CLRCHOLESTEROLA1ZHY0.77
CLRCHOLESTEROLA3D4S0.77
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE80.72
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		A2ZXM0.72
ERGERGOSTEROLA1BXM0.74
ERGERGOSTEROLA1ZHZ0.74
ERGERGOSTEROLA,B2AIB0.74
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.73
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.74
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.9
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2ZBZ0.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1RK30.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1DB10.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE90.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2HC40.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2ZLC0.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A3CV90.73
CBOCARBENOXOLONEA,B,C,D1HDC0.71
CBOCARBENOXOLONEA,B,C,D2BEL0.71
ZK59ALPHA-FLUOROCORTISOLA1GS40.85
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3		A2HB70.74
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one		A3B2S0.74
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1RJK0.73
FOKFORSKOLINA,C3C160.71
FOKFORSKOLINA,C1CJU0.71
FOKFORSKOLINA,C1TL70.71
FOKFORSKOLINA,B1AB80.71
FOKFORSKOLINA,C3C140.71
FOKFORSKOLINA,C1CJT0.71
FOKFORSKOLINA,B,C1CUL0.71
FOKFORSKOLINA,C1CJV0.71
FOKFORSKOLINA,C3C150.71
FOKFORSKOLINA,C1U0H0.71
FOKFORSKOLINA,B,C1CS40.71
FOKFORSKOLINA,C1CJK0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.86
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
VD4(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol		A2O4J0.71
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3		A2HB80.73
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
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.74
PRB13-ACETYLPHORBOLA1PTR0.72
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1E3G0.73
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A,B1E3K0.73
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A2AO60.73
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XOW0.73
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XQ30.73
1CADESOXYCORTICOSTERONEA,B1Y9R0.83
1CADESOXYCORTICOSTERONEA,B,C2ABI0.83
1CADESOXYCORTICOSTERONEA2Q3Y0.83
1CADESOXYCORTICOSTERONEA2AA70.83
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		A2ZXN0.72
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