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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01726623

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.8
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
A2GJ50.98
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,B3C6G0.98
TESTESTOSTERONEA1JTV0.72
TESTESTOSTERONEA2Q7L0.72
TESTESTOSTERONEA2Q7I0.72
TESTESTOSTERONEA,B1J960.72
TESTESTOSTERONEA2Q7K0.72
TESTESTOSTERONEA,B1Q130.72
TESTESTOSTERONEH1I9J0.72
TESTESTOSTERONEA,B1AFS0.72
TESTESTOSTERONEH1VPO0.72
TESTESTOSTERONEA2Q7J0.72
TESTESTOSTERONEA,B3BUR0.72
TESTESTOSTERONEA2AM90.72
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,C2BHW0.81
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
1RWT0.82
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)
A2HCD0.84
NYA(1R,3R,7E,17beta)-17-{(1R,2E,4R)-
4-hydroxy-1-methyl-4-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]but-
2-en-1-yl}-2-methylidene-9,10-secoestra-
5,7-diene-1,3-diol
A2ZMH0.77
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
A3CS60.79
LANLANOSTEROLA1W6K0.79
VD4(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol
A2O4J0.89
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,B1P8D0.8
TT2(1R,3R,7E,17beta)-17-{(1S,2E,5R)-
5-hydroxy-1-methyl-5-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-
2-en-1-yl}-2-methylidene-9,10-secoestra-
5,7-diene-1,3-diol
A2ZMI0.78
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
A2ZXN0.88
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.76
HCR7-HYDROXYCHOLESTEROLA1ZHT0.82
XE41,3-CYCLOHEXANEDIOL, 4-METHYLENE-
5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-
1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-
7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-
, (1R,3S,5Z)
A2HBH0.85
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.93
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.93
3ON(3R)-3-HYDROXY-8'-APOCAROTENOLA,B,C,D2BIW0.78
TX5(1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-
1-((S)-6-HYDROXY-6-METHYLHEPT-4-
YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-
YLIDENE)ETHYLIDENE)CYCLOHEXANE-
1,3-DIOL
A1TXI0.85
MC9CALCIPOTRIOLA1S190.88
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.89
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.77
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RJK0.86
VD5(1R,3R,7E,17E)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol
A2O4R0.89
VDB(1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-
ethyl-2-hydroxybutyl)sulfanyl]ethyl}-
2-(2-hydroxyethoxy)-9,10-secoestra-
5,7,16-triene-1,3-diol
A2ZLA0.71
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3
A2HB80.86
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
A3CS40.79
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.72
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.72
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.72
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE80.82
V2H(1S,3R,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraene-1,3-diol
A,B3DL90.91
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.86
HC325-HYDROXYCHOLESTEROLA1ZHX0.85
VDA(1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-
2-hydroxybutyl)sulfanyl]ethyl}-
2-(2-hydroxyethoxy)-9,10-secoestra-
5,7,16-triene-1,3-diol
A2ZL90.71
EB1SEOCALCITOLA1S0Z0.89
HEQ3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-
CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-
OCTADECA-1,3,5,7,9,11,13,15, 17-
NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-
2-ENONE
A,B1M980.71
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.8
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.76
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.76
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.76
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
A2ZXM0.88
ERGERGOSTEROLA1BXM0.91
ERGERGOSTEROLA1ZHZ0.91
ERGERGOSTEROLA,B2AIB0.91
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH1
HC220-HYDROXYCHOLESTEROLA1ZHW0.85
CLRCHOLESTEROLA,B2ZXE0.87
CLRCHOLESTEROLA1N830.87
CLRCHOLESTEROLA2RH10.87
CLRCHOLESTEROLA1LRI0.87
CLRCHOLESTEROLA1ZHY0.87
CLRCHOLESTEROLA3D4S0.87
VD15-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-
OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-
2-METHYLENE-CYCLOHEXANE-1,3-DIOL
A1RKG0.9
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.85
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZBZ0.86
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RK30.86
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1DB10.86
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE90.86
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2HC40.86
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZLC0.86
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A3CV90.86
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.79
MI4(1R,3R,7E,17beta)-17-{(1S,2E,5R)-
5-hydroxy-1-methyl-6-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-
2-en-1-yl}-2-methylidene-9,10-secoestra-
5,7-diene-1,3-diol
A2ZMJ0.77