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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03147650

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.9
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.9
HC325-HYDROXYCHOLESTEROLA1ZHX0.81
2OBCHOLESTERYL OLEATEA2OBD0.79
1CADESOXYCORTICOSTERONEA,B1Y9R0.95
1CADESOXYCORTICOSTERONEA,B,C2ABI0.95
1CADESOXYCORTICOSTERONEA2Q3Y0.95
1CADESOXYCORTICOSTERONEA2AA70.95
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.89
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.89
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.89
ZK59ALPHA-FLUOROCORTISOLA1GS40.88
GR4H,I1AWF0.7
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.72
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.8
FUAFUSIDIC ACIDA1QCA0.77
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.77
FUAFUSIDIC ACIDA,B2VUF0.77
HC220-HYDROXYCHOLESTEROLA1ZHW0.81
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.77
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.77
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.85
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
A2GJ50.72
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,B3C6G0.72
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.82
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.82
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.82
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.82
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.82
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.82
ASD4-ANDROSTENE-3-17-DIONEA1XF00.82
0MAmaslinic acidA2QN20.77
LANLANOSTEROLA1W6K0.79
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.74
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.74
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.74
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.74
DOGDIGOXIGENINA1LKE0.71
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.87
SNLSPIRONOLACTONEA,B2AB20.73
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.73
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
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
A2ZXN0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.99
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.99
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.99
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.75
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.88
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.88
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.88
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.88
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.88
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.88
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.88
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
CLLCHOLESTERYL LINOLEATEA,B1CLE0.79
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,B1M980.72
HCR7-HYDROXYCHOLESTEROLA1ZHT0.8
AS4ALDOSTERONEA2AA20.91
AS4ALDOSTERONEA2Q1H0.91
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.8
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.8
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.8
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.8
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.8
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.71
0ASasiatic acidA2QN10.77
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.77
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.85
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.85
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.85
C0RCORTICOSTERONEA2A3I0.93
C0RCORTICOSTERONEA,B1Y5R0.93
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,B1P8D0.78
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.7
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.7
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RJK0.7
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3
A2HB80.7
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,B1BUQ0.9
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.84
AE2AETIOCHOLANOLONEA2QP40.77
AE2AETIOCHOLANOLONEA,B1YB10.77
AE2AETIOCHOLANOLONEA2QP30.77
AE2AETIOCHOLANOLONEA,B1X8J0.77
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.77
AE2AETIOCHOLANOLONEH1DBJ0.77
AE2AETIOCHOLANOLONEA1OV40.77
DTXDIGITOXIGENINA1LNM0.72
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.8
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
A1M130.7
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
A2ZXM0.71
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.7
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.93
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.88
CLRCHOLESTEROLA,B2ZXE0.81
CLRCHOLESTEROLA1N830.81
CLRCHOLESTEROLA2RH10.81
CLRCHOLESTEROLA1LRI0.81
CLRCHOLESTEROLA1ZHY0.81
CLRCHOLESTEROLA3D4S0.81
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.88
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.88
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZBZ0.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RK30.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1DB10.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE90.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2HC40.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZLC0.7
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A3CV90.7
CBOCARBENOXOLONEA,B,C,D1HDC0.79
CBOCARBENOXOLONEA,B,C,D2BEL0.79
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.88
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.88
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.84
ERGERGOSTEROLA1BXM0.78
ERGERGOSTEROLA1ZHZ0.78
ERGERGOSTEROLA,B2AIB0.78
DEXDEXAMETHASONEA,D1M2Z0.86
DEXDEXAMETHASONEA,B,C,D1P930.86
STRPROGESTERONEA1H600.82
STRPROGESTERONEA,B,C1YA30.82
STRPROGESTERONEA,B2AA60.82
STRPROGESTERONEA1MRQ0.82
STRPROGESTERONEA,B1A280.82
STRPROGESTERONEA,B2AA50.82
STRPROGESTERONEA2HZQ0.82
STRPROGESTERONEA1W0F0.82
STRPROGESTERONEA2ABA0.82
STRPROGESTERONEA,B3COT0.82
STRPROGESTERONEH1DBB0.82
STRPROGESTERONEH,L2O5Y0.82
TESTESTOSTERONEA1JTV0.99
TESTESTOSTERONEA2Q7L0.99
TESTESTOSTERONEA2Q7I0.99
TESTESTOSTERONEA,B1J960.99
TESTESTOSTERONEA2Q7K0.99
TESTESTOSTERONEA,B1Q130.99
TESTESTOSTERONEH1I9J0.99
TESTESTOSTERONEA,B1AFS0.99
TESTESTOSTERONEH1VPO0.99
TESTESTOSTERONEA2Q7J0.99
TESTESTOSTERONEA,B3BUR0.99
TESTESTOSTERONEA2AM90.99
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,D1AWH0.82