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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02499826

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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)
A2HBH0.72
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
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,C2BHW0.71
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
VD4(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol
A2O4J0.74
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
A1TXI0.72
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE80.73
TESTESTOSTERONEA1JTV0.77
TESTESTOSTERONEA2Q7L0.77
TESTESTOSTERONEA2Q7I0.77
TESTESTOSTERONEA,B1J960.77
TESTESTOSTERONEA2Q7K0.77
TESTESTOSTERONEA,B1Q130.77
TESTESTOSTERONEH1I9J0.77
TESTESTOSTERONEA,B1AFS0.77
TESTESTOSTERONEH1VPO0.77
TESTESTOSTERONEA2Q7J0.77
TESTESTOSTERONEA,B3BUR0.77
TESTESTOSTERONEA2AM90.77
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)
A2HCD0.75
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.96
DOGDIGOXIGENINA1LKE0.71
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.76
HCR7-HYDROXYCHOLESTEROLA1ZHT0.83
LANLANOSTEROLA1W6K0.9
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
A2ZMJ0.71
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
A2ZXM0.78
1CADESOXYCORTICOSTERONEA,B1Y9R0.73
1CADESOXYCORTICOSTERONEA,B,C2ABI0.73
1CADESOXYCORTICOSTERONEA2Q3Y0.73
1CADESOXYCORTICOSTERONEA2AA70.73
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL
A1LHO0.75
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
A2ZMI0.7
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
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.71
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.81
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.77
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.77
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.77
VD15-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-
OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-
2-METHYLENE-CYCLOHEXANE-1,3-DIOL
A1RKG0.75
0MAmaslinic acidA2QN20.71
ERGERGOSTEROLA1BXM0.84
ERGERGOSTEROLA1ZHZ0.84
ERGERGOSTEROLA,B2AIB0.84
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.79
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL
A1LHN0.75
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
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3
A2HB80.77
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.71
FUAFUSIDIC ACIDA1QCA0.71
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.71
FUAFUSIDIC ACIDA,B2VUF0.71
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RJK0.77
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.77
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.77
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.77
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.78
VD5(1R,3R,7E,17E)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol
A2O4R0.74
DTXDIGITOXIGENINA1LNM0.72
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.72
EB1SEOCALCITOLA1S0Z0.73
HC325-HYDROXYCHOLESTEROLA1ZHX0.85
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
A2ZXN0.78
0ASasiatic acidA2QN10.71
C0RCORTICOSTERONEA2A3I0.72
C0RCORTICOSTERONEA,B1Y5R0.72
MC9CALCIPOTRIOLA1S190.72
HC220-HYDROXYCHOLESTEROLA1ZHW0.85
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZBZ0.77
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RK30.77
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1DB10.77
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE90.77
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2HC40.77
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZLC0.77
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A3CV90.77
CLRCHOLESTEROLA,B2ZXE0.87
CLRCHOLESTEROLA1N830.87
CLRCHOLESTEROLA2RH10.87
CLRCHOLESTEROLA1LRI0.87
CLRCHOLESTEROLA1ZHY0.87
CLRCHOLESTEROLA3D4S0.87
V2H(1S,3R,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraene-1,3-diol
A,B3DL90.74
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
1RWT0.7
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
A2GJ50.82
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,B3C6G0.82
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.82
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.82
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.77