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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03684043

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HC325-HYDROXYCHOLESTEROLA1ZHX0.88
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL		A1RKH0.77
HC220-HYDROXYCHOLESTEROLA1ZHW0.88
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.85
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
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
LANLANOSTEROLA1W6K0.99
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		A2ZXN0.76
VD4(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol		A2O4J0.72
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL		A1LHO0.73
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.8
VD15-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-
OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-
2-METHYLENE-CYCLOHEXANE-1,3-DIOL		A1RKG0.73
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.7
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,B1P8D0.83
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.75
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
0MAmaslinic acidA2QN20.71
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL		A1LHN0.73
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.7
C0RCORTICOSTERONEA2A3I0.74
C0RCORTICOSTERONEA,B1Y5R0.74
EB1SEOCALCITOLA1S0Z0.7
CLRCHOLESTEROLA,B2ZXE0.9
CLRCHOLESTEROLA1N830.9
CLRCHOLESTEROLA2RH10.9
CLRCHOLESTEROLA1LRI0.9
CLRCHOLESTEROLA1ZHY0.9
CLRCHOLESTEROLA3D4S0.9
ZK59ALPHA-FLUOROCORTISOLA1GS40.7
1CADESOXYCORTICOSTERONEA,B1Y9R0.76
1CADESOXYCORTICOSTERONEA,B,C2ABI0.76
1CADESOXYCORTICOSTERONEA2Q3Y0.76
1CADESOXYCORTICOSTERONEA2AA70.76
V2H(1S,3R,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraene-1,3-diol		A,B3DL90.72
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2ZBZ0.75
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1RK30.75
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1DB10.75
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE90.75
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2HC40.75
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A2ZLC0.75
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A3CV90.75
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1E3G0.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A,B1E3K0.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A2AO60.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XOW0.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XQ30.7
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		A2GJ50.79
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		A,B3C6G0.79
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
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		A2ZXM0.76
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3		A2HB70.74
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,B1J780.8
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,D1MZ90.8
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1RJK0.75
AS4ALDOSTERONEA2AA20.71
AS4ALDOSTERONEA2Q1H0.71
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
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.71
LUT(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-
BETA,BETA-CAROTENE-3,3'-DIOL		A,B,C,D,E,F,
G,H,I,J		1RWT0.72
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3		A2HB80.75
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.79
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.79
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.79
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.72
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.72
LUX(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-
DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-
OCTADECAHYDRO-BETA,BETA-CAROTENE-
3,3'-DIOL		A,B,C2BHW0.74
VD5(1R,3R,7E,17E)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol		A2O4R0.72
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol		A,B3CZH0.78
ERGERGOSTEROLA1BXM0.86
ERGERGOSTEROLA1ZHZ0.86
ERGERGOSTEROLA,B2AIB0.86
HCR7-HYDROXYCHOLESTEROLA1ZHT0.85