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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02515050

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
114COMPACTINA,B,C,D1HW80.73
CBOCARBENOXOLONEA,B,C,D1HDC0.89
CBOCARBENOXOLONEA,B,C,D2BEL0.89
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,B1P8D0.71
803LOVASTATINA,B1CQP0.75
0MAmaslinic acidA2QN20.91
AS4ALDOSTERONEA2AA20.74
AS4ALDOSTERONEA2Q1H0.74
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.75
0ASasiatic acidA2QN10.93
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
1CADESOXYCORTICOSTERONEA,B1Y9R0.75
1CADESOXYCORTICOSTERONEA,B,C2ABI0.75
1CADESOXYCORTICOSTERONEA2Q3Y0.75
1CADESOXYCORTICOSTERONEA2AA70.75
C0RCORTICOSTERONEA2A3I0.76
C0RCORTICOSTERONEA,B1Y5R0.76
CLRCHOLESTEROLA,B2ZXE0.72
CLRCHOLESTEROLA1N830.72
CLRCHOLESTEROLA2RH10.72
CLRCHOLESTEROLA1LRI0.72
CLRCHOLESTEROLA1ZHY0.72
CLRCHOLESTEROLA3D4S0.72
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.78
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.78
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.78
DEXDEXAMETHASONEA,D1M2Z0.74
DEXDEXAMETHASONEA,B,C,D1P930.74
DTXDIGITOXIGENINA1LNM0.7
2OBCHOLESTERYL OLEATEA2OBD0.77
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.92
CLLCHOLESTERYL LINOLEATEA,B1CLE0.77
ERGERGOSTEROLA1BXM0.7
ERGERGOSTEROLA1ZHZ0.7
ERGERGOSTEROLA,B2AIB0.7