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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03919002

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.8
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.89
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.89
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.89
GR4H,I1AWF0.78
0ASasiatic acidA2QN10.73
DEXDEXAMETHASONEA,D1M2Z0.83
DEXDEXAMETHASONEA,B,C,D1P930.83
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.79
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.72
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,D1AWH0.91
AS4ALDOSTERONEA2AA20.93
AS4ALDOSTERONEA2Q1H0.93
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.79
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A1LHV0.75
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A,B3D900.75
DOGDIGOXIGENINA1LKE0.71
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B1SQN0.75
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B2W8Y0.75
CA4CYPROTERONE ACETATEA2OZ70.72
SNLSPIRONOLACTONEA,B2AB20.73
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.73
1CADESOXYCORTICOSTERONEA,B1Y9R0.85
1CADESOXYCORTICOSTERONEA,B,C2ABI0.85
1CADESOXYCORTICOSTERONEA2Q3Y0.85
1CADESOXYCORTICOSTERONEA2AA70.85
MOUA,B2NPF0.73
TESTESTOSTERONEA1JTV0.84
TESTESTOSTERONEA2Q7L0.84
TESTESTOSTERONEA2Q7I0.84
TESTESTOSTERONEA,B1J960.84
TESTESTOSTERONEA2Q7K0.84
TESTESTOSTERONEA,B1Q130.84
TESTESTOSTERONEH1I9J0.84
TESTESTOSTERONEA,B1AFS0.84
TESTESTOSTERONEH1VPO0.84
TESTESTOSTERONEA2Q7J0.84
TESTESTOSTERONEA,B3BUR0.84
TESTESTOSTERONEA2AM90.84
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,C1YA80.72
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
0MAmaslinic acidA2QN20.73
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		3G710.74
SIMSIMVASTATINA,B,C,D1HW90.72
803LOVASTATINA,B1CQP0.72
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.78
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.91
2OBCHOLESTERYL OLEATEA2OBD0.77
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,B1P8D0.7
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
FUAFUSIDIC ACIDA1QCA0.76
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.76
FUAFUSIDIC ACIDA,B2VUF0.76
DTXDIGITOXIGENINA1LNM0.72
C0RCORTICOSTERONEA2A3I0.89
C0RCORTICOSTERONEA,B1Y5R0.89
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.81
ZK59ALPHA-FLUOROCORTISOLA1GS40.85
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
CBOCARBENOXOLONEA,B,C,D1HDC0.81
CBOCARBENOXOLONEA,B,C,D2BEL0.81
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
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.77
CLLCHOLESTERYL LINOLEATEA,B1CLE0.77
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.84