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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02204887

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SIMSIMVASTATINA,B,C,D1HW90.73
HC220-HYDROXYCHOLESTEROLA1ZHW0.76
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
DTXDIGITOXIGENINA1LNM0.71
SNLSPIRONOLACTONEA,B2AB20.74
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.74
HC325-HYDROXYCHOLESTEROLA1ZHX0.76
ZK59ALPHA-FLUOROCORTISOLA1GS40.71
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.73
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.73
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.7
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.73
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.73
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.79
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
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.83
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
0ASasiatic acidA2QN10.78
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.71
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.71
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.82
803LOVASTATINA,B1CQP0.72
AS4ALDOSTERONEA2AA20.72
AS4ALDOSTERONEA2Q1H0.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.73
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.73
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
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,B1BUQ0.82
GR4H,I1AWF0.71
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.8
CBOCARBENOXOLONEA,B,C,D1HDC0.8
CBOCARBENOXOLONEA,B,C,D2BEL0.8
1CADESOXYCORTICOSTERONEA,B1Y9R0.76
1CADESOXYCORTICOSTERONEA,B,C2ABI0.76
1CADESOXYCORTICOSTERONEA2Q3Y0.76
1CADESOXYCORTICOSTERONEA2AA70.76
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,D1AWH0.79
C0RCORTICOSTERONEA2A3I0.75
C0RCORTICOSTERONEA,B1Y5R0.75
ERGERGOSTEROLA1BXM0.73
ERGERGOSTEROLA1ZHZ0.73
ERGERGOSTEROLA,B2AIB0.73
FUAFUSIDIC ACIDA1QCA0.76
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.76
FUAFUSIDIC ACIDA,B2VUF0.76
CLLCHOLESTERYL LINOLEATEA,B1CLE0.96
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,B1P8D0.77
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.83
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.83
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.83
DOGDIGOXIGENINA1LKE0.7
CLRCHOLESTEROLA,B2ZXE0.76
CLRCHOLESTEROLA1N830.76
CLRCHOLESTEROLA2RH10.76
CLRCHOLESTEROLA1LRI0.76
CLRCHOLESTEROLA1ZHY0.76
CLRCHOLESTEROLA3D4S0.76
2OBCHOLESTERYL OLEATEA2OBD0.96
0MAmaslinic acidA2QN20.8
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,B1T020.71
114COMPACTINA,B,C,D1HW80.71
HCR7-HYDROXYCHOLESTEROLA1ZHT0.74
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.85
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,C1YA80.71
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
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.71