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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00466652

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHDCHOLIC ACIDA,B2PNJ0.74
CHDCHOLIC ACIDA,B1HRK0.74
CHDCHOLIC ACIDA,B2PO70.74
CHDCHOLIC ACIDA2QO60.74
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.74
CHDCHOLIC ACIDA2AZY0.74
CHDCHOLIC ACIDA,B,C2DQY0.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.74
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.74
CHDCHOLIC ACIDA,B,C,D2QD10.74
CHDCHOLIC ACIDA2FT90.74
CHDCHOLIC ACIDA,B2HRC0.74
CHDCHOLIC ACIDA,B1TW40.74
CHDCHOLIC ACIDA,B2QD30.74
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.74
CHDCHOLIC ACIDA2RLC0.74
CHDCHOLIC ACIDA,B1ON50.74
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.74
CHDCHOLIC ACIDA,B2QD40.74
CHDCHOLIC ACIDA2QO50.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.74
CHDCHOLIC ACIDA,B2QD20.74
CHDCHOLIC ACIDA,B,C3ELZ0.74
CHDCHOLIC ACIDA,B2PO50.74
CHDCHOLIC ACIDA,B1S9Q0.74
CHDCHOLIC ACIDA,B1EE20.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.74
CHDCHOLIC ACIDA,B,C,D2HRE0.74
CHDCHOLIC ACIDA,B2QD50.74
CHDCHOLIC ACIDA,B3EM00.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.74
CHDCHOLIC ACIDA2QO40.74
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.74
DTXDIGITOXIGENINA1LNM0.76
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.74
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.74
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
C0RCORTICOSTERONEA2A3I0.82
C0RCORTICOSTERONEA,B1Y5R0.82
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.72
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
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RJK0.71
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.74
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.72
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3
A2HB80.71
SNLSPIRONOLACTONEA,B2AB20.75
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.75
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
A2GJ50.72
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,B3C6G0.72
JN3CHENODEOXYCHOLIC ACIDA2JN30.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.76
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.76
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.76
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.76
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.76
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.76
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.76
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.76
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.76
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.76
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.77
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
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.71
ERGERGOSTEROLA1BXM0.79
ERGERGOSTEROLA1ZHZ0.79
ERGERGOSTEROLA,B2AIB0.79
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.74
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.74
AS4ALDOSTERONEA2AA20.78
AS4ALDOSTERONEA2Q1H0.78
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.86
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.75
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.75
GR4H,I1AWF0.73
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,B1T020.77
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
114COMPACTINA,B,C,D1HW80.77
HC325-HYDROXYCHOLESTEROLA1ZHX0.82
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.9
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
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,B1P8D0.82
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
HCR7-HYDROXYCHOLESTEROLA1ZHT0.8
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.82
DEXDEXAMETHASONEA,D1M2Z0.76
DEXDEXAMETHASONEA,B,C,D1P930.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.76
TESTESTOSTERONEA1JTV0.85
TESTESTOSTERONEA2Q7L0.85
TESTESTOSTERONEA2Q7I0.85
TESTESTOSTERONEA,B1J960.85
TESTESTOSTERONEA2Q7K0.85
TESTESTOSTERONEA,B1Q130.85
TESTESTOSTERONEH1I9J0.85
TESTESTOSTERONEA,B1AFS0.85
TESTESTOSTERONEH1VPO0.85
TESTESTOSTERONEA2Q7J0.85
TESTESTOSTERONEA,B3BUR0.85
TESTESTOSTERONEA2AM90.85
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,D1AWH0.84
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
HC220-HYDROXYCHOLESTEROLA1ZHW0.82
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.71
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.91
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.91
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.91
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
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.89
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
CA4CYPROTERONE ACETATEA2OZ70.71
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.89
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
ZK59ALPHA-FLUOROCORTISOLA1GS40.78
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,B1BUQ0.9
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.76
CLLCHOLESTERYL LINOLEATEA,B1CLE0.93
CBOCARBENOXOLONEA,B,C,D1HDC0.82
CBOCARBENOXOLONEA,B,C,D2BEL0.82
FUAFUSIDIC ACIDA1QCA0.81
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.81
FUAFUSIDIC ACIDA,B2VUF0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.85
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.85
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.85
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.74
2OBCHOLESTERYL OLEATEA2OBD0.93
0ASasiatic acidA2QN10.81
CLRCHOLESTEROLA,B2ZXE0.81
CLRCHOLESTEROLA1N830.81
CLRCHOLESTEROLA2RH10.81
CLRCHOLESTEROLA1LRI0.81
CLRCHOLESTEROLA1ZHY0.81
CLRCHOLESTEROLA3D4S0.81
LANLANOSTEROLA1W6K0.75
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
1CADESOXYCORTICOSTERONEA,B1Y9R0.82
1CADESOXYCORTICOSTERONEA,B,C2ABI0.82
1CADESOXYCORTICOSTERONEA2Q3Y0.82
1CADESOXYCORTICOSTERONEA2AA70.82
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.72
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.79
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.79
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.79
0MAmaslinic acidA2QN20.83
803LOVASTATINA,B1CQP0.79
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.89
DOGDIGOXIGENINA1LKE0.75
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.77
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.77
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.77
SIMSIMVASTATINA,B,C,D1HW90.79
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