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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03225967

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AS4ALDOSTERONEA2AA20.73
AS4ALDOSTERONEA2Q1H0.73
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.85
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.85
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.85
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
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.76
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,B1BUQ0.84
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
CLRCHOLESTEROLA,B2ZXE0.73
CLRCHOLESTEROLA1N830.73
CLRCHOLESTEROLA2RH10.73
CLRCHOLESTEROLA1LRI0.73
CLRCHOLESTEROLA1ZHY0.73
CLRCHOLESTEROLA3D4S0.73
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3		A2HAR0.7
CLLCHOLESTERYL LINOLEATEA,B1CLE0.9
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.7
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.7
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.7
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.82
803LOVASTATINA,B1CQP0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.79
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.79
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.79
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
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.83
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.83
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.83
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.83
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.83
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,C1YA80.73
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A1LHV0.72
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A,B3D900.72
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.83
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
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B1SQN0.72
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B2W8Y0.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.76
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.76
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.76
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.76
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.76
SIMSIMVASTATINA,B,C,D1HW90.78
JN3CHENODEOXYCHOLIC ACIDA2JN30.7
C0RCORTICOSTERONEA2A3I0.76
C0RCORTICOSTERONEA,B1Y5R0.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.71
ERGERGOSTEROLA1BXM0.71
ERGERGOSTEROLA1ZHZ0.71
ERGERGOSTEROLA,B2AIB0.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.7
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.7
2OBCHOLESTERYL OLEATEA2OBD0.9
CHDCHOLIC ACIDA,B2PNJ0.7
CHDCHOLIC ACIDA,B1HRK0.7
CHDCHOLIC ACIDA,B2PO70.7
CHDCHOLIC ACIDA2QO60.7
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.7
CHDCHOLIC ACIDA2AZY0.7
CHDCHOLIC ACIDA,B,C2DQY0.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.7
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.7
CHDCHOLIC ACIDA,B,C,D2QD10.7
CHDCHOLIC ACIDA2FT90.7
CHDCHOLIC ACIDA,B2HRC0.7
CHDCHOLIC ACIDA,B1TW40.7
CHDCHOLIC ACIDA,B2QD30.7
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.7
CHDCHOLIC ACIDA2RLC0.7
CHDCHOLIC ACIDA,B1ON50.7
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.7
CHDCHOLIC ACIDA,B2QD40.7
CHDCHOLIC ACIDA2QO50.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.7
CHDCHOLIC ACIDA,B2QD20.7
CHDCHOLIC ACIDA,B,C3ELZ0.7
CHDCHOLIC ACIDA,B2PO50.7
CHDCHOLIC ACIDA,B1S9Q0.7
CHDCHOLIC ACIDA,B1EE20.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.7
CHDCHOLIC ACIDA,B,C,D2HRE0.7
CHDCHOLIC ACIDA,B2QD50.7
CHDCHOLIC ACIDA,B3EM00.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.7
CHDCHOLIC ACIDA2QO40.7
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.7
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE80.72
CA4CYPROTERONE ACETATEA2OZ70.71
FUAFUSIDIC ACIDA1QCA0.79
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.79
FUAFUSIDIC ACIDA,B2VUF0.79
TESTESTOSTERONEA1JTV0.79
TESTESTOSTERONEA2Q7L0.79
TESTESTOSTERONEA2Q7I0.79
TESTESTOSTERONEA,B1J960.79
TESTESTOSTERONEA2Q7K0.79
TESTESTOSTERONEA,B1Q130.79
TESTESTOSTERONEH1I9J0.79
TESTESTOSTERONEA,B1AFS0.79
TESTESTOSTERONEH1VPO0.79
TESTESTOSTERONEA2Q7J0.79
TESTESTOSTERONEA,B3BUR0.79
TESTESTOSTERONEA2AM90.79
0MAmaslinic acidA2QN20.76
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.8
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
1CADESOXYCORTICOSTERONEA,B1Y9R0.76
1CADESOXYCORTICOSTERONEA,B,C2ABI0.76
1CADESOXYCORTICOSTERONEA2Q3Y0.76
1CADESOXYCORTICOSTERONEA2AA70.76
HCR7-HYDROXYCHOLESTEROLA1ZHT0.72
DEXDEXAMETHASONEA,D1M2Z0.73
DEXDEXAMETHASONEA,B,C,D1P930.73
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL		A1RKH0.71
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3		A2HB70.7
0ASasiatic acidA2QN10.76
CBOCARBENOXOLONEA,B,C,D1HDC0.76
CBOCARBENOXOLONEA,B,C,D2BEL0.76
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
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.7
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.84
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,D1AWH0.8
114COMPACTINA,B,C,D1HW80.76
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,B1T020.76
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.7
ZK59ALPHA-FLUOROCORTISOLA1GS40.74
HC325-HYDROXYCHOLESTEROLA1ZHX0.74
SNLSPIRONOLACTONEA,B2AB20.76
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.76
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,B1P8D0.74
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
DOGDIGOXIGENINA1LKE0.75
DTXDIGITOXIGENINA1LNM0.74
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.76
HC220-HYDROXYCHOLESTEROLA1ZHW0.74