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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02413413

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0MAmaslinic acidA2QN20.78
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate		A2RKV0.71
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate		A,B,C,D2ZBA0.71
CBOCARBENOXOLONEA,B,C,D1HDC0.75
CBOCARBENOXOLONEA,B,C,D2BEL0.75
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,B1T020.75
114COMPACTINA,B,C,D1HW80.75
803LOVASTATINA,B1CQP0.75
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		A,B1ECM0.75
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2CHT0.75
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		X2GTV0.75
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		H1FIG0.75
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		A,B4CSM0.75
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		A,B3CSM0.75
TSA8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		B2FP20.75
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.76
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,C1YA80.75
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.74
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.74
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.74
AS4ALDOSTERONEA2AA20.74
AS4ALDOSTERONEA2Q1H0.74
TESTESTOSTERONEA1JTV0.7
TESTESTOSTERONEA2Q7L0.7
TESTESTOSTERONEA2Q7I0.7
TESTESTOSTERONEA,B1J960.7
TESTESTOSTERONEA2Q7K0.7
TESTESTOSTERONEA,B1Q130.7
TESTESTOSTERONEH1I9J0.7
TESTESTOSTERONEA,B1AFS0.7
TESTESTOSTERONEH1VPO0.7
TESTESTOSTERONEA2Q7J0.7
TESTESTOSTERONEA,B3BUR0.7
TESTESTOSTERONEA2AM90.7
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.71
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,B1BUQ0.75
0ASasiatic acidA2QN10.78
OKAOKADAIC ACIDA1JK70.73
OKAOKADAIC ACIDC2IE40.73
OKAOKADAIC ACIDA1U320.73
FUAFUSIDIC ACIDA1QCA0.74
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.74
FUAFUSIDIC ACIDA,B2VUF0.74
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE		A2GZ50.73
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE		A1B590.73
PRB13-ACETYLPHORBOLA1PTR0.79
GA3GIBBERELLIN A3A2ZSH0.7
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.7
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.78
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,D1AWH0.74
E7BA,B3E7B0.71
MRCMUPIROCINA1JZS0.7
MRCMUPIROCINA,T1FFY0.7
MRCMUPIROCINA1QU30.7
MRCMUPIROCINA,T1QU20.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.7
GR4H,I1AWF0.76
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		3G710.81
MOUA,B2NPF0.71
1CADESOXYCORTICOSTERONEA,B1Y9R0.71
1CADESOXYCORTICOSTERONEA,B,C2ABI0.71
1CADESOXYCORTICOSTERONEA2Q3Y0.71
1CADESOXYCORTICOSTERONEA2AA70.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.75
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.75
C0RCORTICOSTERONEA2A3I0.75
C0RCORTICOSTERONEA,B1Y5R0.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.73
TSO(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON-
6-ENE-3,5-DICARBOXYLIC ACID		A,B,C,D2W1A0.75
13T13-DEOXYTEDANOLIDE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z		2OTJ0.74
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.75
DEXDEXAMETHASONEA,D1M2Z0.72
DEXDEXAMETHASONEA,B,C,D1P930.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.78
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.78
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.78
ZK59ALPHA-FLUOROCORTISOLA1GS40.73
FOKFORSKOLINA,C3C160.81
FOKFORSKOLINA,C1CJU0.81
FOKFORSKOLINA,C1TL70.81
FOKFORSKOLINA,B1AB80.81
FOKFORSKOLINA,C3C140.81
FOKFORSKOLINA,C1CJT0.81
FOKFORSKOLINA,B,C1CUL0.81
FOKFORSKOLINA,C1CJV0.81
FOKFORSKOLINA,C3C150.81
FOKFORSKOLINA,C1U0H0.81
FOKFORSKOLINA,B,C1CS40.81
FOKFORSKOLINA,C1CJK0.81
SIMSIMVASTATINA,B,C,D1HW90.76
SXNSalinixanthinA,B3DDL0.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.72
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one		A3B2S0.75