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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03084746

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZK59ALPHA-FLUOROCORTISOLA1GS40.81
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.76
TESTESTOSTERONEA1JTV0.91
TESTESTOSTERONEA2Q7L0.91
TESTESTOSTERONEA2Q7I0.91
TESTESTOSTERONEA,B1J960.91
TESTESTOSTERONEA2Q7K0.91
TESTESTOSTERONEA,B1Q130.91
TESTESTOSTERONEH1I9J0.91
TESTESTOSTERONEA,B1AFS0.91
TESTESTOSTERONEH1VPO0.91
TESTESTOSTERONEA2Q7J0.91
TESTESTOSTERONEA,B3BUR0.91
TESTESTOSTERONEA2AM90.91
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,B1P8D0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.7
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,B1BUQ0.89
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.83
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.83
0MAmaslinic acidA2QN20.77
2OBCHOLESTERYL OLEATEA2OBD0.81
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.82
CLRCHOLESTEROLA,B2ZXE0.74
CLRCHOLESTEROLA1N830.74
CLRCHOLESTEROLA2RH10.74
CLRCHOLESTEROLA1LRI0.74
CLRCHOLESTEROLA1ZHY0.74
CLRCHOLESTEROLA3D4S0.74
DOGDIGOXIGENINA1LKE0.71
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.77
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
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.82
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.82
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.82
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.82
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.82
CLLCHOLESTERYL LINOLEATEA,B1CLE0.81
DEXDEXAMETHASONEA,D1M2Z0.79
DEXDEXAMETHASONEA,B,C,D1P930.79
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.97
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.94
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.81
SNLSPIRONOLACTONEA,B2AB20.78
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.78
CA4CYPROTERONE ACETATEA2OZ70.74
STRPROGESTERONEA1H600.84
STRPROGESTERONEA,B,C1YA30.84
STRPROGESTERONEA,B2AA60.84
STRPROGESTERONEA1MRQ0.84
STRPROGESTERONEA,B1A280.84
STRPROGESTERONEA,B2AA50.84
STRPROGESTERONEA2HZQ0.84
STRPROGESTERONEA1W0F0.84
STRPROGESTERONEA2ABA0.84
STRPROGESTERONEA,B3COT0.84
STRPROGESTERONEH1DBB0.84
STRPROGESTERONEH,L2O5Y0.84
0ASasiatic acidA2QN10.77
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
A1M130.72
AE2AETIOCHOLANOLONEA2QP40.7
AE2AETIOCHOLANOLONEA,B1YB10.7
AE2AETIOCHOLANOLONEA2QP30.7
AE2AETIOCHOLANOLONEA,B1X8J0.7
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.7
AE2AETIOCHOLANOLONEH1DBJ0.7
AE2AETIOCHOLANOLONEA1OV40.7
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid
A2RDS0.7
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid
A2RDN0.7
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.82
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.9
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.9
FUAFUSIDIC ACIDA1QCA0.76
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.76
FUAFUSIDIC ACIDA,B2VUF0.76
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.91
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.91
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.91
AS4ALDOSTERONEA2AA20.82
AS4ALDOSTERONEA2Q1H0.82
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.9
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.9
LANLANOSTEROLA1W6K0.72
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.86
DTXDIGITOXIGENINA1LNM0.72
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.84
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.84
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.84
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.84
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.84
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.84
ASD4-ANDROSTENE-3-17-DIONEA1XF00.84
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.7
HC220-HYDROXYCHOLESTEROLA1ZHW0.75
1CADESOXYCORTICOSTERONEA,B1Y9R0.9
1CADESOXYCORTICOSTERONEA,B,C2ABI0.9
1CADESOXYCORTICOSTERONEA2Q3Y0.9
1CADESOXYCORTICOSTERONEA2AA70.9
ERGERGOSTEROLA1BXM0.72
ERGERGOSTEROLA1ZHZ0.72
ERGERGOSTEROLA,B2AIB0.72
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.88
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.88
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.88
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
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
C0RCORTICOSTERONEA2A3I0.86
C0RCORTICOSTERONEA,B1Y5R0.86
CBOCARBENOXOLONEA,B,C,D1HDC0.79
CBOCARBENOXOLONEA,B,C,D2BEL0.79
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.85
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.84
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.77
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.77
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.77
HCR7-HYDROXYCHOLESTEROLA1ZHT0.73
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.7