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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01797566

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
803LOVASTATINA,B1CQP0.73
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.75
LANLANOSTEROLA1W6K0.81
1CADESOXYCORTICOSTERONEA,B1Y9R0.86
1CADESOXYCORTICOSTERONEA,B,C2ABI0.86
1CADESOXYCORTICOSTERONEA2Q3Y0.86
1CADESOXYCORTICOSTERONEA2AA70.86
EB1SEOCALCITOLA1S0Z0.71
ERGERGOSTEROLA1BXM0.83
ERGERGOSTEROLA1ZHZ0.83
ERGERGOSTEROLA,B2AIB0.83
DEXDEXAMETHASONEA,D1M2Z0.8
DEXDEXAMETHASONEA,B,C,D1P930.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.8
SIMSIMVASTATINA,B,C,D1HW90.74
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.77
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.77
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,B1M980.74
CBOCARBENOXOLONEA,B,C,D1HDC0.74
CBOCARBENOXOLONEA,B,C,D2BEL0.74
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
A2ZXM0.74
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,D1AWH0.77
CLRCHOLESTEROLA,B2ZXE0.84
CLRCHOLESTEROLA1N830.84
CLRCHOLESTEROLA2RH10.84
CLRCHOLESTEROLA1LRI0.84
CLRCHOLESTEROLA1ZHY0.84
CLRCHOLESTEROLA3D4S0.84
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,B1P8D0.8
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.73
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.73
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.81
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.81
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.83
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.83
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.83
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.83
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.83
ZK59ALPHA-FLUOROCORTISOLA1GS40.8
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.74
STRPROGESTERONEA1H600.73
STRPROGESTERONEA,B,C1YA30.73
STRPROGESTERONEA,B2AA60.73
STRPROGESTERONEA1MRQ0.73
STRPROGESTERONEA,B1A280.73
STRPROGESTERONEA,B2AA50.73
STRPROGESTERONEA2HZQ0.73
STRPROGESTERONEA1W0F0.73
STRPROGESTERONEA2ABA0.73
STRPROGESTERONEA,B3COT0.73
STRPROGESTERONEH1DBB0.73
STRPROGESTERONEH,L2O5Y0.73
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,C1YA80.72
HCR7-HYDROXYCHOLESTEROLA1ZHT0.82
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.8
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
114COMPACTINA,B,C,D1HW80.72
VD4(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol
A2O4J0.7
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.94
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.94
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.94
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.94
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.94
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
A2GJ50.74
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,B3C6G0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.79
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.79
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.79
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.76
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 acidA2QN10.77
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.83
AS4ALDOSTERONEA2AA20.8
AS4ALDOSTERONEA2Q1H0.8
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.72
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.8
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.8
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.8
AXTASTAXANTHINA,B1GKA0.72
C0RCORTICOSTERONEA2A3I0.84
C0RCORTICOSTERONEA,B1Y5R0.84
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.73
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.73
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.73
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.73
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.73
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.73
ASD4-ANDROSTENE-3-17-DIONEA1XF00.73
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.73
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.8
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.8
FUAFUSIDIC ACIDA1QCA0.71
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.71
FUAFUSIDIC ACIDA,B2VUF0.71
V2H(1S,3R,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraene-1,3-diol
A,B3DL90.72
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.95
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.8
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.8
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.84
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZBZ0.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RK30.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1DB10.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE90.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2HC40.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZLC0.73
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A3CV90.73
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.74
VD15-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-
OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-
2-METHYLENE-CYCLOHEXANE-1,3-DIOL
A1RKG0.71
CLLCHOLESTERYL LINOLEATEA,B1CLE0.84
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
A2ZXN0.74
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.81
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RJK0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.76
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.76
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.76
VD5(1R,3R,7E,17E)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol
A2O4R0.7
2OBCHOLESTERYL OLEATEA2OBD0.84
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,B1BUQ0.79
AE2AETIOCHOLANOLONEA2QP40.73
AE2AETIOCHOLANOLONEA,B1YB10.73
AE2AETIOCHOLANOLONEA2QP30.73
AE2AETIOCHOLANOLONEA,B1X8J0.73
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.73
AE2AETIOCHOLANOLONEH1DBJ0.73
AE2AETIOCHOLANOLONEA1OV40.73
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.79
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
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)
A2HCD0.71
HC325-HYDROXYCHOLESTEROLA1ZHX0.84
MC9CALCIPOTRIOLA1S190.7
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.73
0MAmaslinic acidA2QN20.83
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3
A2HB80.73
HC220-HYDROXYCHOLESTEROLA1ZHW0.84