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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01874852

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HCR7-HYDROXYCHOLESTEROLA1ZHT0.79
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.85
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.85
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.85
AE2AETIOCHOLANOLONEA2QP40.76
AE2AETIOCHOLANOLONEA,B1YB10.76
AE2AETIOCHOLANOLONEA2QP30.76
AE2AETIOCHOLANOLONEA,B1X8J0.76
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.76
AE2AETIOCHOLANOLONEH1DBJ0.76
AE2AETIOCHOLANOLONEA1OV40.76
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.79
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.79
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.79
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.79
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.79
DTXDIGITOXIGENINA1LNM0.71
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.73
TESTESTOSTERONEA1JTV0.97
TESTESTOSTERONEA2Q7L0.97
TESTESTOSTERONEA2Q7I0.97
TESTESTOSTERONEA,B1J960.97
TESTESTOSTERONEA2Q7K0.97
TESTESTOSTERONEA,B1Q130.97
TESTESTOSTERONEH1I9J0.97
TESTESTOSTERONEA,B1AFS0.97
TESTESTOSTERONEH1VPO0.97
TESTESTOSTERONEA2Q7J0.97
TESTESTOSTERONEA,B3BUR0.97
TESTESTOSTERONEA2AM90.97
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.83
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.88
AS4ALDOSTERONEA2AA20.92
AS4ALDOSTERONEA2Q1H0.92
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.76
HYF4-HYDROXY-5-ISOBUTYRYL-6-METHYL-
1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-
6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-
3-ENE-2,9-DIONE
A1M130.71
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
JB1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2R,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol
A2ZXM0.7
HC325-HYDROXYCHOLESTEROLA1ZHX0.8
HC220-HYDROXYCHOLESTEROLA1ZHW0.8
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.81
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.81
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.81
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.81
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.81
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.81
ASD4-ANDROSTENE-3-17-DIONEA1XF00.81
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.83
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.79
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
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.74
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.74
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.86
CBOCARBENOXOLONEA,B,C,D1HDC0.77
CBOCARBENOXOLONEA,B,C,D2BEL0.77
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,B1BUQ0.86
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.97
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.97
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.97
C0RCORTICOSTERONEA2A3I0.96
C0RCORTICOSTERONEA,B1Y5R0.96
0MAmaslinic acidA2QN20.76
GR4H,I1AWF0.71
CLRCHOLESTEROLA,B2ZXE0.8
CLRCHOLESTEROLA1N830.8
CLRCHOLESTEROLA2RH10.8
CLRCHOLESTEROLA1LRI0.8
CLRCHOLESTEROLA1ZHY0.8
CLRCHOLESTEROLA3D4S0.8
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.91
VD3(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-
7A-METHYL-1-[(2R)-6-METHYLHEPTAN-
2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-
INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-
CYCLOHEXAN-1-OL
A2GJ50.71
VD3(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-
7A-METHYL-1-[(2R)-6-METHYLHEPTAN-
2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-
INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-
CYCLOHEXAN-1-OL
A,B3C6G0.71
LANLANOSTEROLA1W6K0.78
STRPROGESTERONEA1H600.81
STRPROGESTERONEA,B,C1YA30.81
STRPROGESTERONEA,B2AA60.81
STRPROGESTERONEA1MRQ0.81
STRPROGESTERONEA,B1A280.81
STRPROGESTERONEA,B2AA50.81
STRPROGESTERONEA2HZQ0.81
STRPROGESTERONEA1W0F0.81
STRPROGESTERONEA2ABA0.81
STRPROGESTERONEA,B3COT0.81
STRPROGESTERONEH1DBB0.81
STRPROGESTERONEH,L2O5Y0.81
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.76
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.93
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.93
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.93
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.93
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.93
DEXDEXAMETHASONEA,D1M2Z0.89
DEXDEXAMETHASONEA,B,C,D1P930.89
FUAFUSIDIC ACIDA1QCA0.76
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.76
FUAFUSIDIC ACIDA,B2VUF0.76
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.71
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
1CADESOXYCORTICOSTERONEA,B1Y9R0.94
1CADESOXYCORTICOSTERONEA,B,C2ABI0.94
1CADESOXYCORTICOSTERONEA2Q3Y0.94
1CADESOXYCORTICOSTERONEA2AA70.94
2OBCHOLESTERYL OLEATEA2OBD0.78
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
DOGDIGOXIGENINA1LKE0.7
ZK59ALPHA-FLUOROCORTISOLA1GS40.91
0ASasiatic acidA2QN10.76
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.86
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.86
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.86
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.87
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.79
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.72
JC1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2S,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol
A2ZXN0.7
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,B1M980.71
CLLCHOLESTERYL LINOLEATEA,B1CLE0.78
ERGERGOSTEROLA1BXM0.77
ERGERGOSTEROLA1ZHZ0.77
ERGERGOSTEROLA,B2AIB0.77
SIMSIMVASTATINA,B,C,D1HW90.71
803LOVASTATINA,B1CQP0.71
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,D1AWH0.83
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.87
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.87
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
SNLSPIRONOLACTONEA,B2AB20.71
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.71
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.87
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.87
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.7