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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03520716

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MOUA,B2NPF0.7
1CADESOXYCORTICOSTERONEA,B1Y9R0.72
1CADESOXYCORTICOSTERONEA,B,C2ABI0.72
1CADESOXYCORTICOSTERONEA2Q3Y0.72
1CADESOXYCORTICOSTERONEA2AA70.72
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.76
HCR7-HYDROXYCHOLESTEROLA1ZHT0.71
OBNOUABAINH,L1IBG0.71
GA4GIBBERELLIN A4A2ZSI0.75
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.75
GA4GIBBERELLIN A4H,I1KFA0.75
CBOCARBENOXOLONEA,B,C,D1HDC0.7
CBOCARBENOXOLONEA,B,C,D2BEL0.7
COV(1S,3R,5Z,7E,14beta,17alpha)-17-
[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-
2-methyltetrahydrofuran-2-yl]-9,10-
secoandrosta-5,7,10-triene-1,3-
diol
A3CS40.73
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.76
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.76
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.76
SIMSIMVASTATINA,B,C,D1HW90.7
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,D1AWH0.73
TESTESTOSTERONEA1JTV0.74
TESTESTOSTERONEA2Q7L0.74
TESTESTOSTERONEA2Q7I0.74
TESTESTOSTERONEA,B1J960.74
TESTESTOSTERONEA2Q7K0.74
TESTESTOSTERONEA,B1Q130.74
TESTESTOSTERONEH1I9J0.74
TESTESTOSTERONEA,B1AFS0.74
TESTESTOSTERONEH1VPO0.74
TESTESTOSTERONEA2Q7J0.74
TESTESTOSTERONEA,B3BUR0.74
TESTESTOSTERONEA2AM90.74
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
3G710.75
DTXDIGITOXIGENINA1LNM0.8
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
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.78
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.78
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.78
NEXA,B,C,D,E,F,
G,H,I,J
1RWT0.7
NEXA,B,C2BHW0.7
SODA2E1R0.71
DOGDIGOXIGENINA1LKE0.8
SNLSPIRONOLACTONEA,B2AB20.7
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.7
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,B1BUQ0.78
CLLCHOLESTERYL LINOLEATEA,B1CLE0.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.74
0MAmaslinic acidA2QN20.71
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.7
ZK59ALPHA-FLUOROCORTISOLA1GS40.7
PRB13-ACETYLPHORBOLA1PTR0.73
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.77
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.77
GA3GIBBERELLIN A3A2ZSH0.8
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.8
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,B1P8D0.73
FUAFUSIDIC ACIDA1QCA0.83
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.83
FUAFUSIDIC ACIDA,B2VUF0.83
C0RCORTICOSTERONEA2A3I0.72
C0RCORTICOSTERONEA,B1Y5R0.72
AS4ALDOSTERONEA2AA20.71
AS4ALDOSTERONEA2Q1H0.71
0CO(1S,3R,5Z,7E,14beta,17alpha,23R)-
23-(2-hydroxy-2-methylpropyl)-20,24-
epoxy-9,10-secochola-5,7,10-triene-
1,3-diol
A3CS60.73
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.71
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.73
2OBCHOLESTERYL OLEATEA2OBD0.75
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.72
PIDPERIDININA2C9E0.74
PIDPERIDININM,N,O1PPR0.74
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.72
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.74
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.76
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.75