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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01755384

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D1AWH0.78
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.76
CBOCARBENOXOLONEA,B,C,D1HDC0.73
CBOCARBENOXOLONEA,B,C,D2BEL0.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.87
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.87
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.87
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
FUAFUSIDIC ACIDA1QCA0.7
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.7
FUAFUSIDIC ACIDA,B2VUF0.7
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
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.83
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.83
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.83
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.81
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.75
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.71
0MAmaslinic acidA2QN20.72
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
0ASasiatic acidA2QN10.74
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.82
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.77
ERGERGOSTEROLA1BXM0.71
ERGERGOSTEROLA1ZHZ0.71
ERGERGOSTEROLA,B2AIB0.71
ZK59ALPHA-FLUOROCORTISOLA1GS40.98
C0RCORTICOSTERONEA2A3I0.92
C0RCORTICOSTERONEA,B1Y5R0.92
1CADESOXYCORTICOSTERONEA,B1Y9R0.88
1CADESOXYCORTICOSTERONEA,B,C2ABI0.88
1CADESOXYCORTICOSTERONEA2Q3Y0.88
1CADESOXYCORTICOSTERONEA2AA70.88
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.8
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.8
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.8
2OBCHOLESTERYL OLEATEA2OBD0.72
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.83
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.8
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.8
HCR7-HYDROXYCHOLESTEROLA1ZHT0.7
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.85
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.8
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.8
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.74
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.74
TESTESTOSTERONEA1JTV0.87
TESTESTOSTERONEA2Q7L0.87
TESTESTOSTERONEA2Q7I0.87
TESTESTOSTERONEA,B1J960.87
TESTESTOSTERONEA2Q7K0.87
TESTESTOSTERONEA,B1Q130.87
TESTESTOSTERONEH1I9J0.87
TESTESTOSTERONEA,B1AFS0.87
TESTESTOSTERONEH1VPO0.87
TESTESTOSTERONEA2Q7J0.87
TESTESTOSTERONEA,B3BUR0.87
TESTESTOSTERONEA2AM90.87
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.96
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.96
CLRCHOLESTEROLA,B2ZXE0.71
CLRCHOLESTEROLA1N830.71
CLRCHOLESTEROLA2RH10.71
CLRCHOLESTEROLA1LRI0.71
CLRCHOLESTEROLA1ZHY0.71
CLRCHOLESTEROLA3D4S0.71
AS4ALDOSTERONEA2AA20.88
AS4ALDOSTERONEA2Q1H0.88
DEXDEXAMETHASONEA,D1M2Z1
DEXDEXAMETHASONEA,B,C,D1P931
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.75
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.75
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.75
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.75
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.75
HC325-HYDROXYCHOLESTEROLA1ZHX0.74
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,B1BUQ0.81
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
CLLCHOLESTERYL LINOLEATEA,B1CLE0.72
HC220-HYDROXYCHOLESTEROLA1ZHW0.74