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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03919251

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C0RCORTICOSTERONEA2A3I1
C0RCORTICOSTERONEA,B1Y5R1
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
1CADESOXYCORTICOSTERONEA,B1Y9R0.95
1CADESOXYCORTICOSTERONEA,B,C2ABI0.95
1CADESOXYCORTICOSTERONEA2Q3Y0.95
1CADESOXYCORTICOSTERONEA2AA70.95
AS4ALDOSTERONEA2AA20.95
AS4ALDOSTERONEA2Q1H0.95
ZK59ALPHA-FLUOROCORTISOLA1GS40.94
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.94
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.94
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.94
TESTESTOSTERONEA1JTV0.94
TESTESTOSTERONEA2Q7L0.94
TESTESTOSTERONEA2Q7I0.94
TESTESTOSTERONEA,B1J960.94
TESTESTOSTERONEA2Q7K0.94
TESTESTOSTERONEA,B1Q130.94
TESTESTOSTERONEH1I9J0.94
TESTESTOSTERONEA,B1AFS0.94
TESTESTOSTERONEH1VPO0.94
TESTESTOSTERONEA2Q7J0.94
TESTESTOSTERONEA,B3BUR0.94
TESTESTOSTERONEA2AM90.94
DEXDEXAMETHASONEA,D1M2Z0.92
DEXDEXAMETHASONEA,B,C,D1P930.92
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.89
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.88
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.87
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
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.86
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.85
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.85
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.85
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.85
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.85
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.85
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.85
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.84
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.84
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.84
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.84
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.84
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.82
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,D1AWH0.82
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.8
STRPROGESTERONEA1H600.78
STRPROGESTERONEA,B,C1YA30.78
STRPROGESTERONEA,B2AA60.78
STRPROGESTERONEA1MRQ0.78
STRPROGESTERONEA,B1A280.78
STRPROGESTERONEA,B2AA50.78
STRPROGESTERONEA2HZQ0.78
STRPROGESTERONEA1W0F0.78
STRPROGESTERONEA2ABA0.78
STRPROGESTERONEA,B3COT0.78
STRPROGESTERONEH1DBB0.78
STRPROGESTERONEH,L2O5Y0.78
HC220-HYDROXYCHOLESTEROLA1ZHW0.78
HC325-HYDROXYCHOLESTEROLA1ZHX0.78
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.78
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.78
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.78
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.78
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.78
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.78
ASD4-ANDROSTENE-3-17-DIONEA1XF00.78
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.77
CLRCHOLESTEROLA,B2ZXE0.77
CLRCHOLESTEROLA1N830.77
CLRCHOLESTEROLA2RH10.77
CLRCHOLESTEROLA1LRI0.77
CLRCHOLESTEROLA1ZHY0.77
CLRCHOLESTEROLA3D4S0.77
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.77
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.77
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.77
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.77
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.77
HCR7-HYDROXYCHOLESTEROLA1ZHT0.76
2OBCHOLESTERYL OLEATEA2OBD0.76
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.76
CLLCHOLESTERYL LINOLEATEA,B1CLE0.76
0MAmaslinic acidA2QN20.76
0ASasiatic acidA2QN10.76
CBOCARBENOXOLONEA,B,C,D1HDC0.76
CBOCARBENOXOLONEA,B,C,D2BEL0.76
FUAFUSIDIC ACIDA1QCA0.75
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.75
FUAFUSIDIC ACIDA,B2VUF0.75
ERGERGOSTEROLA1BXM0.75
ERGERGOSTEROLA1ZHZ0.75
ERGERGOSTEROLA,B2AIB0.75
LANLANOSTEROLA1W6K0.75
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,B1P8D0.74
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
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.73
AE2AETIOCHOLANOLONEA2QP40.73
AE2AETIOCHOLANOLONEA,B1YB10.73
AE2AETIOCHOLANOLONEA2QP30.73
AE2AETIOCHOLANOLONEA,B1X8J0.73
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.73
AE2AETIOCHOLANOLONEH1DBJ0.73
AE2AETIOCHOLANOLONEA1OV40.73
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.73
AXTASTAXANTHINA,B1GKA0.72
DTXDIGITOXIGENINA1LNM0.71
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
GR4H,I1AWF0.71
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.71
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.71
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.71
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
SIMSIMVASTATINA,B,C,D1HW90.7
803LOVASTATINA,B1CQP0.7
SNLSPIRONOLACTONEA,B2AB20.7
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.7
DOGDIGOXIGENINA1LKE0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.7