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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02388054

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HCR7-HYDROXYCHOLESTEROLA1ZHT0.79
HC325-HYDROXYCHOLESTEROLA1ZHX0.81
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.8
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.8
C0RCORTICOSTERONEA2A3I0.83
C0RCORTICOSTERONEA,B1Y5R0.83
CBOCARBENOXOLONEA,B,C,D1HDC0.73
CBOCARBENOXOLONEA,B,C,D2BEL0.73
CLLCHOLESTERYL LINOLEATEA,B1CLE0.9
HC220-HYDROXYCHOLESTEROLA1ZHW0.81
FUAFUSIDIC ACIDA1QCA0.7
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.7
FUAFUSIDIC ACIDA,B2VUF0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.72
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,B1P8D0.79
ZK59ALPHA-FLUOROCORTISOLA1GS40.79
1CADESOXYCORTICOSTERONEA,B1Y9R0.85
1CADESOXYCORTICOSTERONEA,B,C2ABI0.85
1CADESOXYCORTICOSTERONEA2Q3Y0.85
1CADESOXYCORTICOSTERONEA2AA70.85
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
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.76
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.76
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.76
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
SNLSPIRONOLACTONEA,B2AB20.72
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.72
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.77
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.79
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
0MAmaslinic acidA2QN20.74
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.8
2OBCHOLESTERYL OLEATEA2OBD0.9
TESTESTOSTERONEA1JTV0.89
TESTESTOSTERONEA2Q7L0.89
TESTESTOSTERONEA2Q7I0.89
TESTESTOSTERONEA,B1J960.89
TESTESTOSTERONEA2Q7K0.89
TESTESTOSTERONEA,B1Q130.89
TESTESTOSTERONEH1I9J0.89
TESTESTOSTERONEA,B1AFS0.89
TESTESTOSTERONEH1VPO0.89
TESTESTOSTERONEA2Q7J0.89
TESTESTOSTERONEA,B3BUR0.89
TESTESTOSTERONEA2AM90.89
0ASasiatic acidA2QN10.72
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,D1AWH0.76
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.72
AS4ALDOSTERONEA2AA20.8
AS4ALDOSTERONEA2Q1H0.8
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.8
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
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
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
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.8
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.8
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.8
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
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
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.82
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.82
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.82
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.84
AE2AETIOCHOLANOLONEA2QP40.72
AE2AETIOCHOLANOLONEA,B1YB10.72
AE2AETIOCHOLANOLONEA2QP30.72
AE2AETIOCHOLANOLONEA,B1X8J0.72
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.72
AE2AETIOCHOLANOLONEH1DBJ0.72
AE2AETIOCHOLANOLONEA1OV40.72
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.75
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
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.77
DEXDEXAMETHASONEA,D1M2Z0.77
DEXDEXAMETHASONEA,B,C,D1P930.77
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.92
CLRCHOLESTEROLA,B2ZXE0.81
CLRCHOLESTEROLA1N830.81
CLRCHOLESTEROLA2RH10.81
CLRCHOLESTEROLA1LRI0.81
CLRCHOLESTEROLA1ZHY0.81
CLRCHOLESTEROLA3D4S0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.89
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.89
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.89
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.81
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.81
LANLANOSTEROLA1W6K0.74
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.81
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.81
ERGERGOSTEROLA1BXM0.78
ERGERGOSTEROLA1ZHZ0.78
ERGERGOSTEROLA,B2AIB0.78
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.76
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.7