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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03840883

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.84
SIMSIMVASTATINA,B,C,D1HW90.73
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.85
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.85
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.85
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,B1P8D0.81
VD15-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-
OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-
2-METHYLENE-CYCLOHEXANE-1,3-DIOL
A1RKG0.72
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,B1BUQ0.84
AS4ALDOSTERONEA2AA20.85
AS4ALDOSTERONEA2Q1H0.85
DTXDIGITOXIGENINA1LNM0.71
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.78
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.78
CLRCHOLESTEROLA,B2ZXE0.85
CLRCHOLESTEROLA1N830.85
CLRCHOLESTEROLA2RH10.85
CLRCHOLESTEROLA1LRI0.85
CLRCHOLESTEROLA1ZHY0.85
CLRCHOLESTEROLA3D4S0.85
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
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.84
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.73
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.85
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.85
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.85
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.85
1CADESOXYCORTICOSTERONEA,B1Y9R0.91
1CADESOXYCORTICOSTERONEA,B,C2ABI0.91
1CADESOXYCORTICOSTERONEA2Q3Y0.91
1CADESOXYCORTICOSTERONEA2AA70.91
TESTESTOSTERONEA1JTV0.95
TESTESTOSTERONEA2Q7L0.95
TESTESTOSTERONEA2Q7I0.95
TESTESTOSTERONEA,B1J960.95
TESTESTOSTERONEA2Q7K0.95
TESTESTOSTERONEA,B1Q130.95
TESTESTOSTERONEH1I9J0.95
TESTESTOSTERONEA,B1AFS0.95
TESTESTOSTERONEH1VPO0.95
TESTESTOSTERONEA2Q7J0.95
TESTESTOSTERONEA,B3BUR0.95
TESTESTOSTERONEA2AM90.95
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
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
A1M130.71
HCR7-HYDROXYCHOLESTEROLA1ZHT0.83
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE80.7
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
VD5(1R,3R,7E,17E)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol
A2O4R0.71
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)
A2HCD0.72
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
A2GJ50.75
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,B3C6G0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.74
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.74
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.75
MC9CALCIPOTRIOLA1S190.71
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.83
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.79
803LOVASTATINA,B1CQP0.72
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.79
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.79
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.79
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.79
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.79
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.79
ASD4-ANDROSTENE-3-17-DIONEA1XF00.79
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,B1M980.77
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.77
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.77
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.77
CBOCARBENOXOLONEA,B,C,D1HDC0.77
CBOCARBENOXOLONEA,B,C,D2BEL0.77
ERGERGOSTEROLA1BXM0.84
ERGERGOSTEROLA1ZHZ0.84
ERGERGOSTEROLA,B2AIB0.84
GR4H,I1AWF0.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.84
CLLCHOLESTERYL LINOLEATEA,B1CLE0.85
LANLANOSTEROLA1W6K0.78
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.95
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.95
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.95
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,D1AWH0.81
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZBZ0.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RK30.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1DB10.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE90.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2HC40.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZLC0.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A3CV90.74
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.72
STRPROGESTERONEA1H600.79
STRPROGESTERONEA,B,C1YA30.79
STRPROGESTERONEA,B2AA60.79
STRPROGESTERONEA1MRQ0.79
STRPROGESTERONEA,B1A280.79
STRPROGESTERONEA,B2AA50.79
STRPROGESTERONEA2HZQ0.79
STRPROGESTERONEA1W0F0.79
STRPROGESTERONEA2ABA0.79
STRPROGESTERONEA,B3COT0.79
STRPROGESTERONEH1DBB0.79
STRPROGESTERONEH,L2O5Y0.79
FUAFUSIDIC ACIDA1QCA0.76
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.76
FUAFUSIDIC ACIDA,B2VUF0.76
DEXDEXAMETHASONEA,D1M2Z0.85
DEXDEXAMETHASONEA,B,C,D1P930.85
EB1SEOCALCITOLA1S0Z0.72
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.84
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.84
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.84
DOGDIGOXIGENINA1LKE0.7
C0RCORTICOSTERONEA2A3I0.89
C0RCORTICOSTERONEA,B1Y5R0.89
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
0ASasiatic acidA2QN10.76
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.87
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.77
HC325-HYDROXYCHOLESTEROLA1ZHX0.85
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.95
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.95
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.95
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.95
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.95
V2H(1S,3R,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraene-1,3-diol
A,B3DL90.73
AXTASTAXANTHINA,B1GKA0.74
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.96
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.84
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.84
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.84
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.84
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.84
0MAmaslinic acidA2QN20.8
HC220-HYDROXYCHOLESTEROLA1ZHW0.85
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,B1T020.71
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3
A2HB80.74
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.84
114COMPACTINA,B,C,D1HW80.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.86
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.86
ZK59ALPHA-FLUOROCORTISOLA1GS40.84
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RJK0.74
VD4(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol
A2O4J0.71
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,C1YA80.71
SNLSPIRONOLACTONEA,B2AB20.71
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.71
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.73
AE2AETIOCHOLANOLONEA2QP40.74
AE2AETIOCHOLANOLONEA,B1YB10.74
AE2AETIOCHOLANOLONEA2QP30.74
AE2AETIOCHOLANOLONEA,B1X8J0.74
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.74
AE2AETIOCHOLANOLONEH1DBJ0.74
AE2AETIOCHOLANOLONEA1OV40.74
2OBCHOLESTERYL OLEATEA2OBD0.85