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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00467500

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.82
AS4ALDOSTERONEA2AA20.85
AS4ALDOSTERONEA2Q1H0.85
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,D1AWH0.86
SNLSPIRONOLACTONEA,B2AB20.74
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.74
FUAFUSIDIC ACIDA1QCA0.77
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.77
FUAFUSIDIC ACIDA,B2VUF0.77
CLLCHOLESTERYL LINOLEATEA,B1CLE0.8
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,B1T020.74
114COMPACTINA,B,C,D1HW80.74
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,C1YA80.75
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one		A3B2S0.71
FOKFORSKOLINA,C3C160.74
FOKFORSKOLINA,C1CJU0.74
FOKFORSKOLINA,C1TL70.74
FOKFORSKOLINA,B1AB80.74
FOKFORSKOLINA,C3C140.74
FOKFORSKOLINA,C1CJT0.74
FOKFORSKOLINA,B,C1CUL0.74
FOKFORSKOLINA,C1CJV0.74
FOKFORSKOLINA,C3C150.74
FOKFORSKOLINA,C1U0H0.74
FOKFORSKOLINA,B,C1CS40.74
FOKFORSKOLINA,C1CJK0.74
CA4CYPROTERONE ACETATEA2OZ70.72
DOGDIGOXIGENINA1LKE0.76
CLRCHOLESTEROLA,B2ZXE0.7
CLRCHOLESTEROLA1N830.7
CLRCHOLESTEROLA2RH10.7
CLRCHOLESTEROLA1LRI0.7
CLRCHOLESTEROLA1ZHY0.7
CLRCHOLESTEROLA3D4S0.7
0ASasiatic acidA2QN10.78
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.71
GA3GIBBERELLIN A3A2ZSH0.72
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.81
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.81
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.81
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.72
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.8
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.8
1CADESOXYCORTICOSTERONEA,B1Y9R0.84
1CADESOXYCORTICOSTERONEA,B,C2ABI0.84
1CADESOXYCORTICOSTERONEA2Q3Y0.84
1CADESOXYCORTICOSTERONEA2AA70.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.83
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.83
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.83
C0RCORTICOSTERONEA2A3I0.88
C0RCORTICOSTERONEA,B1Y5R0.88
2OBCHOLESTERYL OLEATEA2OBD0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.79
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.91
GR4H,I1AWF0.76
0MAmaslinic acidA2QN20.76
DEXDEXAMETHASONEA,D1M2Z0.92
DEXDEXAMETHASONEA,B,C,D1P930.92
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1E3G0.72
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A,B1E3K0.72
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A2AO60.72
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XOW0.72
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XQ30.72
CBOCARBENOXOLONEA,B,C,D1HDC0.8
CBOCARBENOXOLONEA,B,C,D2BEL0.8
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		3G710.76
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.71
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.82
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID		A,B2G5W0.7
HC325-HYDROXYCHOLESTEROLA1ZHX0.72
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE		A,B2HFK0.73
PRB13-ACETYLPHORBOLA1PTR0.74
HC220-HYDROXYCHOLESTEROLA1ZHW0.72
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
DTXDIGITOXIGENINA1LNM0.75
ZK59ALPHA-FLUOROCORTISOLA1GS40.89
TESTESTOSTERONEA1JTV0.83
TESTESTOSTERONEA2Q7L0.83
TESTESTOSTERONEA2Q7I0.83
TESTESTOSTERONEA,B1J960.83
TESTESTOSTERONEA2Q7K0.83
TESTESTOSTERONEA,B1Q130.83
TESTESTOSTERONEH1I9J0.83
TESTESTOSTERONEA,B1AFS0.83
TESTESTOSTERONEH1VPO0.83
TESTESTOSTERONEA2Q7J0.83
TESTESTOSTERONEA,B3BUR0.83
TESTESTOSTERONEA2AM90.83
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.88
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.88
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.88
803LOVASTATINA,B1CQP0.76
SIMSIMVASTATINA,B,C,D1HW90.76
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.78
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.81
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,B1BUQ0.87
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.91
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.91
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
GA4GIBBERELLIN A4A2ZSI0.71
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.71
GA4GIBBERELLIN A4H,I1KFA0.71
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