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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03520494

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLRCHOLESTEROLA,B2ZXE0.73
CLRCHOLESTEROLA1N830.73
CLRCHOLESTEROLA2RH10.73
CLRCHOLESTEROLA1LRI0.73
CLRCHOLESTEROLA1ZHY0.73
CLRCHOLESTEROLA3D4S0.73
LANLANOSTEROLA1W6K0.71
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RJK0.71
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
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3
A2HB80.71
0MAmaslinic acidA2QN20.72
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.73
CBOCARBENOXOLONEA,B,C,D1HDC0.74
CBOCARBENOXOLONEA,B,C,D2BEL0.74
1CADESOXYCORTICOSTERONEA,B1Y9R0.85
1CADESOXYCORTICOSTERONEA,B,C2ABI0.85
1CADESOXYCORTICOSTERONEA2Q3Y0.85
1CADESOXYCORTICOSTERONEA2AA70.85
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.76
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.83
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.82
GR4H,I1AWF0.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZBZ0.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RK30.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1DB10.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE90.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2HC40.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZLC0.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A3CV90.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.87
DEXDEXAMETHASONEA,D1M2Z0.81
DEXDEXAMETHASONEA,B,C,D1P930.81
ERGERGOSTEROLA1BXM0.71
ERGERGOSTEROLA1ZHZ0.71
ERGERGOSTEROLA,B2AIB0.71
C0RCORTICOSTERONEA2A3I0.88
C0RCORTICOSTERONEA,B1Y5R0.88
STRPROGESTERONEA1H600.74
STRPROGESTERONEA,B,C1YA30.74
STRPROGESTERONEA,B2AA60.74
STRPROGESTERONEA1MRQ0.74
STRPROGESTERONEA,B1A280.74
STRPROGESTERONEA,B2AA50.74
STRPROGESTERONEA2HZQ0.74
STRPROGESTERONEA1W0F0.74
STRPROGESTERONEA2ABA0.74
STRPROGESTERONEA,B3COT0.74
STRPROGESTERONEH1DBB0.74
STRPROGESTERONEH,L2O5Y0.74
ZK59ALPHA-FLUOROCORTISOLA1GS40.83
TESTESTOSTERONEA1JTV0.89
TESTESTOSTERONEA2Q7L0.89
TESTESTOSTERONEA2Q7I0.89
TESTESTOSTERONEA,B1J960.89
TESTESTOSTERONEA2Q7K0.89
TESTESTOSTERONEA,B1Q130.89
TESTESTOSTERONEH1I9J0.89
TESTESTOSTERONEA,B1AFS0.89
TESTESTOSTERONEH1VPO0.89
TESTESTOSTERONEA2Q7J0.89
TESTESTOSTERONEA,B3BUR0.89
TESTESTOSTERONEA2AM90.89
0ASasiatic acidA2QN10.72
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
AS4ALDOSTERONEA2AA20.9
AS4ALDOSTERONEA2Q1H0.9
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.85
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.85
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.78
2OBCHOLESTERYL OLEATEA2OBD0.72
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,B1BUQ0.83
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,B1P8D0.7
HCR7-HYDROXYCHOLESTEROLA1ZHT0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.84
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.82
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.82
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.82
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.9
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.74
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.74
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.74
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.74
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.74
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.74
ASD4-ANDROSTENE-3-17-DIONEA1XF00.74
PRB13-ACETYLPHORBOLA1PTR0.7
HC325-HYDROXYCHOLESTEROLA1ZHX0.73
HC220-HYDROXYCHOLESTEROLA1ZHW0.73
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.79
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.79
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.89
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.89
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.89
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.79
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.79
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)
A2HCD0.71
DOGDIGOXIGENINA1LKE0.73
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.72
CLLCHOLESTERYL LINOLEATEA,B1CLE0.72
FUAFUSIDIC ACIDA1QCA0.8
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.8
FUAFUSIDIC ACIDA,B2VUF0.8
DTXDIGITOXIGENINA1LNM0.74
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
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.79
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
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,D1AWH0.82