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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03506052

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.71
HC220-HYDROXYCHOLESTEROLA1ZHW0.76
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID
A1R6W0.7
LANLANOSTEROLA1W6K0.76
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
FUAFUSIDIC ACIDA1QCA0.77
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.77
FUAFUSIDIC ACIDA,B2VUF0.77
HC325-HYDROXYCHOLESTEROLA1ZHX0.76
DEXDEXAMETHASONEA,D1M2Z0.8
DEXDEXAMETHASONEA,B,C,D1P930.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.8
AXTASTAXANTHINA,B1GKA0.76
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.82
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.82
CLLCHOLESTERYL LINOLEATEA,B1CLE0.82
STRPROGESTERONEA1H600.72
STRPROGESTERONEA,B,C1YA30.72
STRPROGESTERONEA,B2AA60.72
STRPROGESTERONEA1MRQ0.72
STRPROGESTERONEA,B1A280.72
STRPROGESTERONEA,B2AA50.72
STRPROGESTERONEA2HZQ0.72
STRPROGESTERONEA1W0F0.72
STRPROGESTERONEA2ABA0.72
STRPROGESTERONEA,B3COT0.72
STRPROGESTERONEH1DBB0.72
STRPROGESTERONEH,L2O5Y0.72
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.71
CBOCARBENOXOLONEA,B,C,D1HDC0.78
CBOCARBENOXOLONEA,B,C,D2BEL0.78
0ASasiatic acidA2QN10.78
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
A2ZXM0.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.83
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.83
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.83
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.83
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.83
ZK59ALPHA-FLUOROCORTISOLA1GS40.8
CA4CYPROTERONE ACETATEA2OZ70.75
ERGERGOSTEROLA1BXM0.79
ERGERGOSTEROLA1ZHZ0.79
ERGERGOSTEROLA,B2AIB0.79
2OBCHOLESTERYL OLEATEA2OBD0.82
SNLSPIRONOLACTONEA,B2AB20.72
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.72
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.86
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,B1T020.78
PG2PROSTAGLANDIN D2A,B1RY00.71
114COMPACTINA,B,C,D1HW80.78
1CADESOXYCORTICOSTERONEA,B1Y9R0.84
1CADESOXYCORTICOSTERONEA,B,C2ABI0.84
1CADESOXYCORTICOSTERONEA2Q3Y0.84
1CADESOXYCORTICOSTERONEA2AA70.84
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.74
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.79
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.79
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.79
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,C1YA80.78
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,B1M980.77
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
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
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,B1BUQ0.86
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.83
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.85
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.85
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.85
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.85
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.85
DOGDIGOXIGENINA1LKE0.72
SIMSIMVASTATINA,B,C,D1HW90.8
803LOVASTATINA,B1CQP0.8
GR4H,I1AWF0.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.85
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
A2GJ50.71
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,B3C6G0.71
C0RCORTICOSTERONEA2A3I0.84
C0RCORTICOSTERONEA,B1Y5R0.84
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.71
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
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.87
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.87
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.87
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,B1P8D0.73
CLRCHOLESTEROLA,B2ZXE0.76
CLRCHOLESTEROLA1N830.76
CLRCHOLESTEROLA2RH10.76
CLRCHOLESTEROLA1LRI0.76
CLRCHOLESTEROLA1ZHY0.76
CLRCHOLESTEROLA3D4S0.76
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.72
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
A2ZXN0.7
AS4ALDOSTERONEA2AA20.81
AS4ALDOSTERONEA2Q1H0.81
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.73
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.71
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.71
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.71
JN3CHENODEOXYCHOLIC ACIDA2JN30.71
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.79
DTXDIGITOXIGENINA1LNM0.73
HCR7-HYDROXYCHOLESTEROLA1ZHT0.74
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.75
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.72
0MAmaslinic acidA2QN20.82
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.72
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.72
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.72
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.72
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.72
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.72
ASD4-ANDROSTENE-3-17-DIONEA1XF00.72
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.84
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.71
CHDCHOLIC ACIDA,B2PNJ0.71
CHDCHOLIC ACIDA,B1HRK0.71
CHDCHOLIC ACIDA,B2PO70.71
CHDCHOLIC ACIDA2QO60.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.71
CHDCHOLIC ACIDA2AZY0.71
CHDCHOLIC ACIDA,B,C2DQY0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.71
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.71
CHDCHOLIC ACIDA,B,C,D2QD10.71
CHDCHOLIC ACIDA2FT90.71
CHDCHOLIC ACIDA,B2HRC0.71
CHDCHOLIC ACIDA,B1TW40.71
CHDCHOLIC ACIDA,B2QD30.71
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.71
CHDCHOLIC ACIDA2RLC0.71
CHDCHOLIC ACIDA,B1ON50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.71
CHDCHOLIC ACIDA,B2QD40.71
CHDCHOLIC ACIDA2QO50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.71
CHDCHOLIC ACIDA,B2QD20.71
CHDCHOLIC ACIDA,B,C3ELZ0.71
CHDCHOLIC ACIDA,B2PO50.71
CHDCHOLIC ACIDA,B1S9Q0.71
CHDCHOLIC ACIDA,B1EE20.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.71
CHDCHOLIC ACIDA,B,C,D2HRE0.71
CHDCHOLIC ACIDA,B2QD50.71
CHDCHOLIC ACIDA,B3EM00.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.71
CHDCHOLIC ACIDA2QO40.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.71
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.85
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.72
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