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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03372696

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
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.75
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
DEXDEXAMETHASONEA,D1M2Z0.82
DEXDEXAMETHASONEA,B,C,D1P930.82
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.9
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.9
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.9
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.9
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.9
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.87
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,C1YA80.74
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.71
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.71
FUAFUSIDIC ACIDA1QCA0.72
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.72
FUAFUSIDIC ACIDA,B2VUF0.72
HCR7-HYDROXYCHOLESTEROLA1ZHT0.76
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.71
SIMSIMVASTATINA,B,C,D1HW90.74
803LOVASTATINA,B1CQP0.74
AXTASTAXANTHINA,B1GKA0.76
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.81
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.81
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.81
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.81
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.81
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.71
CLRCHOLESTEROLA,B2ZXE0.78
CLRCHOLESTEROLA1N830.78
CLRCHOLESTEROLA2RH10.78
CLRCHOLESTEROLA1LRI0.78
CLRCHOLESTEROLA1ZHY0.78
CLRCHOLESTEROLA3D4S0.78
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.77
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.76
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
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,D1AWH0.75
1CADESOXYCORTICOSTERONEA,B1Y9R0.89
1CADESOXYCORTICOSTERONEA,B,C2ABI0.89
1CADESOXYCORTICOSTERONEA2Q3Y0.89
1CADESOXYCORTICOSTERONEA2AA70.89
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.76
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.76
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.76
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.76
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.76
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.76
ASD4-ANDROSTENE-3-17-DIONEA1XF00.76
LVA(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-
DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-
1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL)-3,5-DIHYDROXYHEPTANOIC ACID
A,B1T020.72
ZK59ALPHA-FLUOROCORTISOLA1GS40.82
114COMPACTINA,B,C,D1HW80.72
0MAmaslinic acidA2QN20.84
C0RCORTICOSTERONEA2A3I0.87
C0RCORTICOSTERONEA,B1Y5R0.87
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.71
HC220-HYDROXYCHOLESTEROLA1ZHW0.78
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.7
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.82
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.82
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
STRPROGESTERONEA1H600.76
STRPROGESTERONEA,B,C1YA30.76
STRPROGESTERONEA,B2AA60.76
STRPROGESTERONEA1MRQ0.76
STRPROGESTERONEA,B1A280.76
STRPROGESTERONEA,B2AA50.76
STRPROGESTERONEA2HZQ0.76
STRPROGESTERONEA1W0F0.76
STRPROGESTERONEA2ABA0.76
STRPROGESTERONEA,B3COT0.76
STRPROGESTERONEH1DBB0.76
STRPROGESTERONEH,L2O5Y0.76
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.82
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.82
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,B1BUQ0.82
CBOCARBENOXOLONEA,B,C,D1HDC0.8
CBOCARBENOXOLONEA,B,C,D2BEL0.8
0ASasiatic acidA2QN10.8
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
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
HC325-HYDROXYCHOLESTEROLA1ZHX0.78
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.82
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
2OBCHOLESTERYL OLEATEA2OBD0.78
OXR4-OXORETINOLA,B1X8L0.71
AS4ALDOSTERONEA2AA20.83
AS4ALDOSTERONEA2Q1H0.83
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.81
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.81
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.81
CLLCHOLESTERYL LINOLEATEA,B1CLE0.78
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.71
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.71
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.71
ERGERGOSTEROLA1BXM0.77
ERGERGOSTEROLA1ZHZ0.77
ERGERGOSTEROLA,B2AIB0.77
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.78
LANLANOSTEROLA1W6K0.75
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.7
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.89
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
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,B1M980.79
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
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
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.81