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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02408757

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
STRPROGESTERONEA1H600.7
STRPROGESTERONEA,B,C1YA30.7
STRPROGESTERONEA,B2AA60.7
STRPROGESTERONEA1MRQ0.7
STRPROGESTERONEA,B1A280.7
STRPROGESTERONEA,B2AA50.7
STRPROGESTERONEA2HZQ0.7
STRPROGESTERONEA1W0F0.7
STRPROGESTERONEA2ABA0.7
STRPROGESTERONEA,B3COT0.7
STRPROGESTERONEH1DBB0.7
STRPROGESTERONEH,L2O5Y0.7
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.8
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.8
JN3CHENODEOXYCHOLIC ACIDA2JN30.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.75
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.75
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.75
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,D1AWH0.86
C0RCORTICOSTERONEA2A3I0.82
C0RCORTICOSTERONEA,B1Y5R0.82
FUAFUSIDIC ACIDA1QCA0.77
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.77
FUAFUSIDIC ACIDA,B2VUF0.77
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.72
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.84
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.73
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.73
CHDCHOLIC ACIDA,B2PNJ0.73
CHDCHOLIC ACIDA,B1HRK0.73
CHDCHOLIC ACIDA,B2PO70.73
CHDCHOLIC ACIDA2QO60.73
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.73
CHDCHOLIC ACIDA2AZY0.73
CHDCHOLIC ACIDA,B,C2DQY0.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.73
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.73
CHDCHOLIC ACIDA,B,C,D2QD10.73
CHDCHOLIC ACIDA2FT90.73
CHDCHOLIC ACIDA,B2HRC0.73
CHDCHOLIC ACIDA,B1TW40.73
CHDCHOLIC ACIDA,B2QD30.73
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.73
CHDCHOLIC ACIDA2RLC0.73
CHDCHOLIC ACIDA,B1ON50.73
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.73
CHDCHOLIC ACIDA,B2QD40.73
CHDCHOLIC ACIDA2QO50.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.73
CHDCHOLIC ACIDA,B2QD20.73
CHDCHOLIC ACIDA,B,C3ELZ0.73
CHDCHOLIC ACIDA,B2PO50.73
CHDCHOLIC ACIDA,B1S9Q0.73
CHDCHOLIC ACIDA,B1EE20.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.73
CHDCHOLIC ACIDA,B,C,D2HRE0.73
CHDCHOLIC ACIDA,B2QD50.73
CHDCHOLIC ACIDA,B3EM00.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.73
CHDCHOLIC ACIDA2QO40.73
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.73
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.73
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.71
HYF4-HYDROXY-5-ISOBUTYRYL-6-METHYL-
1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-
6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-
3-ENE-2,9-DIONE
A1M130.71
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE80.7
CBOCARBENOXOLONEA,B,C,D1HDC0.78
CBOCARBENOXOLONEA,B,C,D2BEL0.78
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
GR4H,I1AWF0.75
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.87
HC325-HYDROXYCHOLESTEROLA1ZHX0.8
HC220-HYDROXYCHOLESTEROLA1ZHW0.8
SNLSPIRONOLACTONEA,B2AB20.72
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.72
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
114COMPACTINA,B,C,D1HW80.78
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.71
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.9
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
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
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.82
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
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
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.78
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.73
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.73
DOGDIGOXIGENINA1LKE0.72
SIMSIMVASTATINA,B,C,D1HW90.8
803LOVASTATINA,B1CQP0.8
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
PG2PROSTAGLANDIN D2A,B1RY00.73
CLRCHOLESTEROLA,B2ZXE0.8
CLRCHOLESTEROLA1N830.8
CLRCHOLESTEROLA2RH10.8
CLRCHOLESTEROLA1LRI0.8
CLRCHOLESTEROLA1ZHY0.8
CLRCHOLESTEROLA3D4S0.8
0ASasiatic acidA2QN10.8
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
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,B1P8D0.78
ZK59ALPHA-FLUOROCORTISOLA1GS40.78
HCR7-HYDROXYCHOLESTEROLA1ZHT0.78
2OBCHOLESTERYL OLEATEA2OBD0.86
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.74
CLLCHOLESTERYL LINOLEATEA,B1CLE0.86
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.87
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.87
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.87
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
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.7
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.7
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.7
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.7
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.7
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.7
ASD4-ANDROSTENE-3-17-DIONEA1XF00.7
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.78
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.78
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.78
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
DEXDEXAMETHASONEA,D1M2Z0.77
DEXDEXAMETHASONEA,B,C,D1P930.77
ERGERGOSTEROLA1BXM0.77
ERGERGOSTEROLA1ZHZ0.77
ERGERGOSTEROLA,B2AIB0.77
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
DTXDIGITOXIGENINA1LNM0.73
1CADESOXYCORTICOSTERONEA,B1Y9R0.82
1CADESOXYCORTICOSTERONEA,B,C2ABI0.82
1CADESOXYCORTICOSTERONEA2Q3Y0.82
1CADESOXYCORTICOSTERONEA2AA70.82
LANLANOSTEROLA1W6K0.74
0MAmaslinic acidA2QN20.82
AS4ALDOSTERONEA2AA20.79
AS4ALDOSTERONEA2Q1H0.79
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.76
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.76
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
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.7
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.76
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.76
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.85