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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03365851

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
803LOVASTATINA,B1CQP0.73
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.85
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.85
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.85
2OBCHOLESTERYL OLEATEA2OBD0.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.8
ZK59ALPHA-FLUOROCORTISOLA1GS40.88
AS4ALDOSTERONEA2AA20.85
AS4ALDOSTERONEA2Q1H0.85
0ASasiatic acidA2QN10.73
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,C1YA80.74
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.79
SIMSIMVASTATINA,B,C,D1HW90.74
WINmethyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-
15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-
3,11,12-trihydroxy-2,16-dioxo-13,20-
epoxypicras-3-en-21-oate		0,1,2,3,9,A,
B,C,F,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		3G710.72
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1E3G0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A,B1E3K0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A2AO60.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XOW0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XQ30.71
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.79
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A1LHV0.75
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A,B3D900.75
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.88
GR4H,I1AWF0.72
DOGDIGOXIGENINA1LKE0.71
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B1SQN0.75
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B2W8Y0.75
CA4CYPROTERONE ACETATEA2OZ70.72
0MAmaslinic acidA2QN20.75
1CADESOXYCORTICOSTERONEA,B1Y9R0.85
1CADESOXYCORTICOSTERONEA,B,C2ABI0.85
1CADESOXYCORTICOSTERONEA2Q3Y0.85
1CADESOXYCORTICOSTERONEA2AA70.85
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.77
TESTESTOSTERONEA1JTV0.84
TESTESTOSTERONEA2Q7L0.84
TESTESTOSTERONEA2Q7I0.84
TESTESTOSTERONEA,B1J960.84
TESTESTOSTERONEA2Q7K0.84
TESTESTOSTERONEA,B1Q130.84
TESTESTOSTERONEH1I9J0.84
TESTESTOSTERONEA,B1AFS0.84
TESTESTOSTERONEH1VPO0.84
TESTESTOSTERONEA2Q7J0.84
TESTESTOSTERONEA,B3BUR0.84
TESTESTOSTERONEA2AM90.84
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,B1T020.72
114COMPACTINA,B,C,D1HW80.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.81
CLLCHOLESTERYL LINOLEATEA,B1CLE0.79
CBOCARBENOXOLONEA,B,C,D1HDC0.77
CBOCARBENOXOLONEA,B,C,D2BEL0.77
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
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,B1P8D0.7
FUAFUSIDIC ACIDA1QCA0.76
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.76
FUAFUSIDIC ACIDA,B2VUF0.76
DTXDIGITOXIGENINA1LNM0.72
C0RCORTICOSTERONEA2A3I0.89
C0RCORTICOSTERONEA,B1Y5R0.89
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.81
DEXDEXAMETHASONEA,D1M2Z0.91
DEXDEXAMETHASONEA,B,C,D1P930.91
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE		A,B2HFK0.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.86
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.86
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,D1AWH0.83
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.77
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.72
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
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.84