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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02393671

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZK59ALPHA-FLUOROCORTISOLA1GS40.87
FOKFORSKOLINA,C3C160.75
FOKFORSKOLINA,C1CJU0.75
FOKFORSKOLINA,C1TL70.75
FOKFORSKOLINA,B1AB80.75
FOKFORSKOLINA,C3C140.75
FOKFORSKOLINA,C1CJT0.75
FOKFORSKOLINA,B,C1CUL0.75
FOKFORSKOLINA,C1CJV0.75
FOKFORSKOLINA,C3C150.75
FOKFORSKOLINA,C1U0H0.75
FOKFORSKOLINA,B,C1CS40.75
FOKFORSKOLINA,C1CJK0.75
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.74
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.74
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.74
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.74
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,B1P8D0.71
2OBCHOLESTERYL OLEATEA2OBD0.76
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,B1BUQ0.85
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A2GZ50.7
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A1B590.7
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.82
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.82
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.82
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.88
0MAmaslinic acidA2QN20.75
CBOCARBENOXOLONEA,B,C,D1HDC0.78
CBOCARBENOXOLONEA,B,C,D2BEL0.78
CLLCHOLESTERYL LINOLEATEA,B1CLE0.76
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.76
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.86
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.86
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.86
SNLSPIRONOLACTONEA,B2AB20.72
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.72
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
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.8
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.8
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.8
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,B1T020.7
114COMPACTINA,B,C,D1HW80.7
MOUA,B2NPF0.75
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.76
FUAFUSIDIC ACIDA1QCA0.75
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.75
FUAFUSIDIC ACIDA,B2VUF0.75
SIMSIMVASTATINA,B,C,D1HW90.72
803LOVASTATINA,B1CQP0.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.89
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.89
HC220-HYDROXYCHOLESTEROLA1ZHW0.7
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.82
CA4CYPROTERONE ACETATEA2OZ70.71
PRB13-ACETYLPHORBOLA1PTR0.75
1CADESOXYCORTICOSTERONEA,B1Y9R0.81
1CADESOXYCORTICOSTERONEA,B,C2ABI0.81
1CADESOXYCORTICOSTERONEA2Q3Y0.81
1CADESOXYCORTICOSTERONEA2AA70.81
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.77
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.7
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.7
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.72
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.78
HC325-HYDROXYCHOLESTEROLA1ZHX0.7
DEXDEXAMETHASONEA,D1M2Z0.85
DEXDEXAMETHASONEA,B,C,D1P930.85
AS4ALDOSTERONEA2AA20.82
AS4ALDOSTERONEA2Q1H0.82
C0RCORTICOSTERONEA2A3I0.85
C0RCORTICOSTERONEA,B1Y5R0.85
DOGDIGOXIGENINA1LKE0.74
DTXDIGITOXIGENINA1LNM0.73
GR4H,I1AWF0.8
0ASasiatic acidA2QN10.79
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,D1AWH0.83
OBNOUABAINH,L1IBG0.73
WINmethyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-
15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-
3,11,12-trihydroxy-2,16-dioxo-13,20-
epoxypicras-3-en-21-oate
0,1,2,3,9,A,
B,C,F,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
3G710.82
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
DGXDIGOXINB,D1IGJ0.71
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.79
TESTESTOSTERONEA1JTV0.8
TESTESTOSTERONEA2Q7L0.8
TESTESTOSTERONEA2Q7I0.8
TESTESTOSTERONEA,B1J960.8
TESTESTOSTERONEA2Q7K0.8
TESTESTOSTERONEA,B1Q130.8
TESTESTOSTERONEH1I9J0.8
TESTESTOSTERONEA,B1AFS0.8
TESTESTOSTERONEH1VPO0.8
TESTESTOSTERONEA2Q7J0.8
TESTESTOSTERONEA,B3BUR0.8
TESTESTOSTERONEA2AM90.8