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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02394860

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CA4CYPROTERONE ACETATEA2OZ70.7
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
AE2AETIOCHOLANOLONEA2QP40.71
AE2AETIOCHOLANOLONEA,B1YB10.71
AE2AETIOCHOLANOLONEA2QP30.71
AE2AETIOCHOLANOLONEA,B1X8J0.71
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.71
AE2AETIOCHOLANOLONEH1DBJ0.71
AE2AETIOCHOLANOLONEA1OV40.71
0ASasiatic acidA2QN10.75
CBOCARBENOXOLONEA,B,C,D1HDC0.73
CBOCARBENOXOLONEA,B,C,D2BEL0.73
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.7
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.7
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.8
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.8
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.8
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.85
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.85
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.7
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.79
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.85
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.85
CLRCHOLESTEROLA,B2ZXE0.74
CLRCHOLESTEROLA1N830.74
CLRCHOLESTEROLA2RH10.74
CLRCHOLESTEROLA1LRI0.74
CLRCHOLESTEROLA1ZHY0.74
CLRCHOLESTEROLA3D4S0.74
DOGDIGOXIGENINA1LKE0.71
STRPROGESTERONEA1H600.77
STRPROGESTERONEA,B,C1YA30.77
STRPROGESTERONEA,B2AA60.77
STRPROGESTERONEA1MRQ0.77
STRPROGESTERONEA,B1A280.77
STRPROGESTERONEA,B2AA50.77
STRPROGESTERONEA2HZQ0.77
STRPROGESTERONEA1W0F0.77
STRPROGESTERONEA2ABA0.77
STRPROGESTERONEA,B3COT0.77
STRPROGESTERONEH1DBB0.77
STRPROGESTERONEH,L2O5Y0.77
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.71
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.7
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.7
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.7
0MAmaslinic acidA2QN20.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.9
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.9
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.9
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.78
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.79
FUAFUSIDIC ACIDA1QCA0.73
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.73
FUAFUSIDIC ACIDA,B2VUF0.73
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.8
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.75
C0RCORTICOSTERONEA2A3I0.92
C0RCORTICOSTERONEA,B1Y5R0.92
ZK59ALPHA-FLUOROCORTISOLA1GS40.95
DEXDEXAMETHASONEA,D1M2Z0.93
DEXDEXAMETHASONEA,B,C,D1P930.93
DTXDIGITOXIGENINA1LNM0.7
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
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.71
CLLCHOLESTERYL LINOLEATEA,B1CLE0.73
HC325-HYDROXYCHOLESTEROLA1ZHX0.77
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.82
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.82
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.82
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
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.78
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.78
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.78
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.78
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.78
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
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.8
LANLANOSTEROLA1W6K0.72
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.83
HC220-HYDROXYCHOLESTEROLA1ZHW0.77
AS4ALDOSTERONEA2AA20.88
AS4ALDOSTERONEA2Q1H0.88
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,B1P8D0.73
ERGERGOSTEROLA1BXM0.72
ERGERGOSTEROLA1ZHZ0.72
ERGERGOSTEROLA,B2AIB0.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.86
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.85
SNLSPIRONOLACTONEA,B2AB20.71
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.71
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.77
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.77
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.77
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.77
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.77
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.77
ASD4-ANDROSTENE-3-17-DIONEA1XF00.77
HCR7-HYDROXYCHOLESTEROLA1ZHT0.73
TESTESTOSTERONEA1JTV0.9
TESTESTOSTERONEA2Q7L0.9
TESTESTOSTERONEA2Q7I0.9
TESTESTOSTERONEA,B1J960.9
TESTESTOSTERONEA2Q7K0.9
TESTESTOSTERONEA,B1Q130.9
TESTESTOSTERONEH1I9J0.9
TESTESTOSTERONEA,B1AFS0.9
TESTESTOSTERONEH1VPO0.9
TESTESTOSTERONEA2Q7J0.9
TESTESTOSTERONEA,B3BUR0.9
TESTESTOSTERONEA2AM90.9
2OBCHOLESTERYL OLEATEA2OBD0.73