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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03520430

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B1T020.73
CLRCHOLESTEROLA,B2ZXE0.75
CLRCHOLESTEROLA1N830.75
CLRCHOLESTEROLA2RH10.75
CLRCHOLESTEROLA1LRI0.75
CLRCHOLESTEROLA1ZHY0.75
CLRCHOLESTEROLA3D4S0.75
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.76
114COMPACTINA,B,C,D1HW80.73
C0RCORTICOSTERONEA2A3I0.82
C0RCORTICOSTERONEA,B1Y5R0.82
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
A2GJ50.7
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
A,B3C6G0.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.87
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.87
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.87
803LOVASTATINA,B1CQP0.75
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.94
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.94
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.94
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.94
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.94
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.7
2OBCHOLESTERYL OLEATEA2OBD0.76
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.75
CBOCARBENOXOLONEA,B,C,D1HDC0.7
CBOCARBENOXOLONEA,B,C,D2BEL0.7
0MAmaslinic acidA2QN20.75
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.87
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.87
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.87
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.87
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.87
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
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.71
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.71
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.71
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.71
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.71
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.71
ASD4-ANDROSTENE-3-17-DIONEA1XF00.71
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
CLLCHOLESTERYL LINOLEATEA,B1CLE0.76
ERGERGOSTEROLA1BXM0.79
ERGERGOSTEROLA1ZHZ0.79
ERGERGOSTEROLA,B2AIB0.79
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.76
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,D1AWH0.73
AS4ALDOSTERONEA2AA20.78
AS4ALDOSTERONEA2Q1H0.78
1CADESOXYCORTICOSTERONEA,B1Y9R0.84
1CADESOXYCORTICOSTERONEA,B,C2ABI0.84
1CADESOXYCORTICOSTERONEA2Q3Y0.84
1CADESOXYCORTICOSTERONEA2AA70.84
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
1RWT0.71
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.77
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.77
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.77
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.77
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.78
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.78
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.79
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.79
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.78
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.78
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.75
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.75
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.75
STRPROGESTERONEA1H600.71
STRPROGESTERONEA,B,C1YA30.71
STRPROGESTERONEA,B2AA60.71
STRPROGESTERONEA1MRQ0.71
STRPROGESTERONEA,B1A280.71
STRPROGESTERONEA,B2AA50.71
STRPROGESTERONEA2HZQ0.71
STRPROGESTERONEA1W0F0.71
STRPROGESTERONEA2ABA0.71
STRPROGESTERONEA,B3COT0.71
STRPROGESTERONEH1DBB0.71
STRPROGESTERONEH,L2O5Y0.71
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.7
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.7
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,B1M980.8
ZK59ALPHA-FLUOROCORTISOLA1GS40.78
AXTASTAXANTHINA,B1GKA0.78
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,B1P8D0.72
LANLANOSTEROLA1W6K0.77
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,C2BHW0.72
OXR4-OXORETINOLA,B1X8L0.71
TESTESTOSTERONEA1JTV0.87
TESTESTOSTERONEA2Q7L0.87
TESTESTOSTERONEA2Q7I0.87
TESTESTOSTERONEA,B1J960.87
TESTESTOSTERONEA2Q7K0.87
TESTESTOSTERONEA,B1Q130.87
TESTESTOSTERONEH1I9J0.87
TESTESTOSTERONEA,B1AFS0.87
TESTESTOSTERONEH1VPO0.87
TESTESTOSTERONEA2Q7J0.87
TESTESTOSTERONEA,B3BUR0.87
TESTESTOSTERONEA2AM90.87
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.86
HC220-HYDROXYCHOLESTEROLA1ZHW0.75
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.71
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.94
HC325-HYDROXYCHOLESTEROLA1ZHX0.75
SIMSIMVASTATINA,B,C,D1HW90.76
HCR7-HYDROXYCHOLESTEROLA1ZHT0.74
MVB(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-
7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-
4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-
1-NAPHTHALENOL
A,B,C1YA80.76
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.75
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.72
DEXDEXAMETHASONEA,D1M2Z0.78
DEXDEXAMETHASONEA,B,C,D1P930.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.78