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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03133377

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZK59ALPHA-FLUOROCORTISOLA1GS40.81
GR4H,I1AWF0.7
0ASasiatic acidA2QN10.75
TESTESTOSTERONEA1JTV0.91
TESTESTOSTERONEA2Q7L0.91
TESTESTOSTERONEA2Q7I0.91
TESTESTOSTERONEA,B1J960.91
TESTESTOSTERONEA2Q7K0.91
TESTESTOSTERONEA,B1Q130.91
TESTESTOSTERONEH1I9J0.91
TESTESTOSTERONEA,B1AFS0.91
TESTESTOSTERONEH1VPO0.91
TESTESTOSTERONEA2Q7J0.91
TESTESTOSTERONEA,B3BUR0.91
TESTESTOSTERONEA2AM90.91
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
A2ZXM0.73
DEXDEXAMETHASONEA,D1M2Z0.8
DEXDEXAMETHASONEA,B,C,D1P930.8
ERGERGOSTEROLA1BXM0.8
ERGERGOSTEROLA1ZHZ0.8
ERGERGOSTEROLA,B2AIB0.8
1NB2-(2-HYDROXY-CYCLOPENTYL)-PENT-
4-ENAL
P1BRU0.7
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
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.83
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.83
0MAmaslinic acidA2QN20.77
2OBCHOLESTERYL OLEATEA2OBD0.81
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
STRPROGESTERONEA1H600.75
STRPROGESTERONEA,B,C1YA30.75
STRPROGESTERONEA,B2AA60.75
STRPROGESTERONEA1MRQ0.75
STRPROGESTERONEA,B1A280.75
STRPROGESTERONEA,B2AA50.75
STRPROGESTERONEA2HZQ0.75
STRPROGESTERONEA1W0F0.75
STRPROGESTERONEA2ABA0.75
STRPROGESTERONEA,B3COT0.75
STRPROGESTERONEH1DBB0.75
STRPROGESTERONEH,L2O5Y0.75
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.75
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.75
CLLCHOLESTERYL LINOLEATEA,B1CLE0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.79
HCR7-HYDROXYCHOLESTEROLA1ZHT0.82
AS4ALDOSTERONEA2AA20.86
AS4ALDOSTERONEA2Q1H0.86
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.78
VD4(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol
A2O4J0.7
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
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
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.72
CBOCARBENOXOLONEA,B,C,D1HDC0.72
CBOCARBENOXOLONEA,B,C,D2BEL0.72
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.75
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.75
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.75
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.75
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.75
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.75
ASD4-ANDROSTENE-3-17-DIONEA1XF00.75
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.72
1CADESOXYCORTICOSTERONEA,B1Y9R0.88
1CADESOXYCORTICOSTERONEA,B,C2ABI0.88
1CADESOXYCORTICOSTERONEA2Q3Y0.88
1CADESOXYCORTICOSTERONEA2AA70.88
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.8
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.8
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.8
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.78
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
A2ZXN0.73
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.73
V2H(1S,3R,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraene-1,3-diol
A,B3DL90.7
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3
A2HB80.72
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RJK0.72
FUAFUSIDIC ACIDA1QCA0.71
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.71
FUAFUSIDIC ACIDA,B2VUF0.71
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.95
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.78
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
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.91
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.91
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.91
LANLANOSTEROLA1W6K0.77
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.73
VD15-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-
OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-
2-METHYLENE-CYCLOHEXANE-1,3-DIOL
A1RKG0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.96
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.96
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.96
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.96
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.96
AE2AETIOCHOLANOLONEA2QP40.75
AE2AETIOCHOLANOLONEA,B1YB10.75
AE2AETIOCHOLANOLONEA2QP30.75
AE2AETIOCHOLANOLONEA,B1X8J0.75
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.75
AE2AETIOCHOLANOLONEH1DBJ0.75
AE2AETIOCHOLANOLONEA1OV40.75
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.81
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
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,D1AWH0.8
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZBZ0.72
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RK30.72
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1DB10.72
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE90.72
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2HC40.72
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZLC0.72
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A3CV90.72
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.79
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
C0RCORTICOSTERONEA2A3I0.86
C0RCORTICOSTERONEA,B1Y5R0.86
HC325-HYDROXYCHOLESTEROLA1ZHX0.84
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.81
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.81
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.81
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.81
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
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.72
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.75
HC220-HYDROXYCHOLESTEROLA1ZHW0.84