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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03176988

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HC220-HYDROXYCHOLESTEROLA1ZHW0.71
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,B1T020.73
LUX(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-
DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-
OCTADECAHYDRO-BETA,BETA-CAROTENE-
3,3'-DIOL		A,B,C2BHW0.71
114COMPACTINA,B,C,D1HW80.73
CBOCARBENOXOLONEA,B,C,D1HDC0.73
CBOCARBENOXOLONEA,B,C,D2BEL0.73
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.75
SIMSIMVASTATINA,B,C,D1HW90.75
803LOVASTATINA,B1CQP0.75
HC325-HYDROXYCHOLESTEROLA1ZHX0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.82
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.82
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.82
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.82
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.82
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.74
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.74
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.74
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.81
2OBCHOLESTERYL OLEATEA2OBD0.71
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
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
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,B1BUQ0.75
C0RCORTICOSTERONEA2A3I0.8
C0RCORTICOSTERONEA,B1Y5R0.8
CLRCHOLESTEROLA,B2ZXE0.7
CLRCHOLESTEROLA1N830.7
CLRCHOLESTEROLA2RH10.7
CLRCHOLESTEROLA1LRI0.7
CLRCHOLESTEROLA1ZHY0.7
CLRCHOLESTEROLA3D4S0.7
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.77
CLLCHOLESTERYL LINOLEATEA,B1CLE0.71
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
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1E3G0.82
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A,B1E3K0.82
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A2AO60.82
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XOW0.82
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XQ30.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.79
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.8
OXR4-OXORETINOLA,B1X8L0.73
DEXDEXAMETHASONEA,D1M2Z0.76
DEXDEXAMETHASONEA,B,C,D1P930.76
0ASasiatic acidA2QN10.77
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,D1AWH0.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.73
1CADESOXYCORTICOSTERONEA,B1Y9R0.81
1CADESOXYCORTICOSTERONEA,B,C2ABI0.81
1CADESOXYCORTICOSTERONEA2Q3Y0.81
1CADESOXYCORTICOSTERONEA2AA70.81
ERGERGOSTEROLA1BXM0.74
ERGERGOSTEROLA1ZHZ0.74
ERGERGOSTEROLA,B2AIB0.74
AXTASTAXANTHINA,B1GKA0.77
0MAmaslinic acidA2QN20.81
HEQ3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-
CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-
OCTADECA-1,3,5,7,9,11,13,15, 17-
NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-
2-ENONE		A,B1M980.8
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.82
LANLANOSTEROLA1W6K0.72
AS4ALDOSTERONEA2AA20.76
AS4ALDOSTERONEA2Q1H0.76
ZK59ALPHA-FLUOROCORTISOLA1GS40.75
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,C1YA80.76
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.77
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.77
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
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.73
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.7