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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03177072

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLRCHOLESTEROLA,B2ZXE0.73
CLRCHOLESTEROLA1N830.73
CLRCHOLESTEROLA2RH10.73
CLRCHOLESTEROLA1LRI0.73
CLRCHOLESTEROLA1ZHY0.73
CLRCHOLESTEROLA3D4S0.73
LANLANOSTEROLA1W6K0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.88
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.88
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.88
HCR7-HYDROXYCHOLESTEROLA1ZHT0.71
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.7
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
3G710.72
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.76
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.76
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.76
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.76
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.76
AS4ALDOSTERONEA2AA20.92
AS4ALDOSTERONEA2Q1H0.92
GR4H,I1AWF0.72
CBOCARBENOXOLONEA,B,C,D1HDC0.74
CBOCARBENOXOLONEA,B,C,D2BEL0.74
DOGDIGOXIGENINA1LKE0.71
STRPROGESTERONEA1H600.75
STRPROGESTERONEA,B,C1YA30.75
STRPROGESTERONEA,B2AA60.75
STRPROGESTERONEA1MRQ0.75
STRPROGESTERONEA,B1A280.75
STRPROGESTERONEA,B2AA50.75
STRPROGESTERONEA2HZQ0.75
STRPROGESTERONEA1W0F0.75
STRPROGESTERONEA2ABA0.75
STRPROGESTERONEA,B3COT0.75
STRPROGESTERONEH1DBB0.75
STRPROGESTERONEH,L2O5Y0.75
SIMSIMVASTATINA,B,C,D1HW90.7
SNLSPIRONOLACTONEA,B2AB20.72
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.72
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.83
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.88
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.88
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.88
C0RCORTICOSTERONEA2A3I0.94
C0RCORTICOSTERONEA,B1Y5R0.94
FUAFUSIDIC ACIDA1QCA0.75
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.75
FUAFUSIDIC ACIDA,B2VUF0.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.87
1CADESOXYCORTICOSTERONEA,B1Y9R0.92
1CADESOXYCORTICOSTERONEA,B,C2ABI0.92
1CADESOXYCORTICOSTERONEA2Q3Y0.92
1CADESOXYCORTICOSTERONEA2AA70.92
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.75
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.75
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.75
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.75
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.75
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.75
ASD4-ANDROSTENE-3-17-DIONEA1XF00.75
0MAmaslinic acidA2QN20.71
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.72
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.78
2OBCHOLESTERYL OLEATEA2OBD0.72
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.83
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.83
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,B1BUQ0.83
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.83
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.83
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.84
DEXDEXAMETHASONEA,D1M2Z0.89
DEXDEXAMETHASONEA,B,C,D1P930.89
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.82
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.82
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.82
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.93
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.93
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,B1P8D0.72
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.74
DTXDIGITOXIGENINA1LNM0.72
TESTESTOSTERONEA1JTV0.88
TESTESTOSTERONEA2Q7L0.88
TESTESTOSTERONEA2Q7I0.88
TESTESTOSTERONEA,B1J960.88
TESTESTOSTERONEA2Q7K0.88
TESTESTOSTERONEA,B1Q130.88
TESTESTOSTERONEH1I9J0.88
TESTESTOSTERONEA,B1AFS0.88
TESTESTOSTERONEH1VPO0.88
TESTESTOSTERONEA2Q7J0.88
TESTESTOSTERONEA,B3BUR0.88
TESTESTOSTERONEA2AM90.88
ZK59ALPHA-FLUOROCORTISOLA1GS40.91
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.81
0ASasiatic acidA2QN10.71
HC220-HYDROXYCHOLESTEROLA1ZHW0.75
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,D1AWH0.8
HC325-HYDROXYCHOLESTEROLA1ZHX0.75
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.78
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.84
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.76
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.88
CLLCHOLESTERYL LINOLEATEA,B1CLE0.72
ERGERGOSTEROLA1BXM0.7
ERGERGOSTEROLA1ZHZ0.7
ERGERGOSTEROLA,B2AIB0.7