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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02441112

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.79
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
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.82
AE2AETIOCHOLANOLONEA2QP40.71
AE2AETIOCHOLANOLONEA,B1YB10.71
AE2AETIOCHOLANOLONEA2QP30.71
AE2AETIOCHOLANOLONEA,B1X8J0.71
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.71
AE2AETIOCHOLANOLONEH1DBJ0.71
AE2AETIOCHOLANOLONEA1OV40.71
CLRCHOLESTEROLA,B2ZXE0.75
CLRCHOLESTEROLA1N830.75
CLRCHOLESTEROLA2RH10.75
CLRCHOLESTEROLA1LRI0.75
CLRCHOLESTEROLA1ZHY0.75
CLRCHOLESTEROLA3D4S0.75
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
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.87
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
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.8
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.8
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.8
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.8
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.8
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.8
ASD4-ANDROSTENE-3-17-DIONEA1XF00.8
DEXDEXAMETHASONEA,D1M2Z0.8
DEXDEXAMETHASONEA,B,C,D1P930.8
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.82
1CADESOXYCORTICOSTERONEA,B1Y9R0.91
1CADESOXYCORTICOSTERONEA,B,C2ABI0.91
1CADESOXYCORTICOSTERONEA2Q3Y0.91
1CADESOXYCORTICOSTERONEA2AA70.91
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
A1M130.76
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.71
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.87
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.87
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.87
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.87
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.87
TESTESTOSTERONEA1JTV0.92
TESTESTOSTERONEA2Q7L0.92
TESTESTOSTERONEA2Q7I0.92
TESTESTOSTERONEA,B1J960.92
TESTESTOSTERONEA2Q7K0.92
TESTESTOSTERONEA,B1Q130.92
TESTESTOSTERONEH1I9J0.92
TESTESTOSTERONEA,B1AFS0.92
TESTESTOSTERONEH1VPO0.92
TESTESTOSTERONEA2Q7J0.92
TESTESTOSTERONEA,B3BUR0.92
TESTESTOSTERONEA2AM90.92
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.86
OXR4-OXORETINOLA,B1X8L0.73
ZK59ALPHA-FLUOROCORTISOLA1GS40.82
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.78
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,C1YA80.7
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.72
C0RCORTICOSTERONEA2A3I0.87
C0RCORTICOSTERONEA,B1Y5R0.87
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,D1AWH0.74
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.8
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.8
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.8
CBOCARBENOXOLONEA,B,C,D1HDC0.8
CBOCARBENOXOLONEA,B,C,D2BEL0.8
CDZ3,5-dihydroxy-4,6,6-tris(3-methylbut-
2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-
2,4-dien-1-one
A2QNV0.71
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
FUAFUSIDIC ACIDA1QCA0.71
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.71
FUAFUSIDIC ACIDA,B2VUF0.71
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.7
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,B2VDY0.84
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.84
0MAmaslinic acidA2QN20.79
AS4ALDOSTERONEA2AA20.83
AS4ALDOSTERONEA2Q1H0.83
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.72
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.86
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.72
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.78
HC220-HYDROXYCHOLESTEROLA1ZHW0.75
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,B1M980.76
ERGERGOSTEROLA1BXM0.72
ERGERGOSTEROLA1ZHZ0.72
ERGERGOSTEROLA,B2AIB0.72
STRPROGESTERONEA1H600.8
STRPROGESTERONEA,B,C1YA30.8
STRPROGESTERONEA,B2AA60.8
STRPROGESTERONEA1MRQ0.8
STRPROGESTERONEA,B1A280.8
STRPROGESTERONEA,B2AA50.8
STRPROGESTERONEA2HZQ0.8
STRPROGESTERONEA1W0F0.8
STRPROGESTERONEA2ABA0.8
STRPROGESTERONEA,B3COT0.8
STRPROGESTERONEH1DBB0.8
STRPROGESTERONEH,L2O5Y0.8
HC325-HYDROXYCHOLESTEROLA1ZHX0.75
LANLANOSTEROLA1W6K0.75
0ASasiatic acidA2QN10.79
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.92
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.92
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.92
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,B1BUQ0.81
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
AXTASTAXANTHINA,B1GKA0.73
2OBCHOLESTERYL OLEATEA2OBD0.73