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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03520475

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SIMSIMVASTATINA,B,C,D1HW90.73
STRPROGESTERONEA1H600.7
STRPROGESTERONEA,B,C1YA30.7
STRPROGESTERONEA,B2AA60.7
STRPROGESTERONEA1MRQ0.7
STRPROGESTERONEA,B1A280.7
STRPROGESTERONEA,B2AA50.7
STRPROGESTERONEA2HZQ0.7
STRPROGESTERONEA1W0F0.7
STRPROGESTERONEA2ABA0.7
STRPROGESTERONEA,B3COT0.7
STRPROGESTERONEH1DBB0.7
STRPROGESTERONEH,L2O5Y0.7
0MAmaslinic acidA2QN20.78
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
1CADESOXYCORTICOSTERONEA,B1Y9R0.86
1CADESOXYCORTICOSTERONEA,B,C2ABI0.86
1CADESOXYCORTICOSTERONEA2Q3Y0.86
1CADESOXYCORTICOSTERONEA2AA70.86
FUAFUSIDIC ACIDA1QCA0.77
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.77
FUAFUSIDIC ACIDA,B2VUF0.77
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.84
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.84
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.84
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
3G710.77
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.89
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.71
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,B1BUQ0.85
FOKFORSKOLINA,C3C160.74
FOKFORSKOLINA,C1CJU0.74
FOKFORSKOLINA,C1TL70.74
FOKFORSKOLINA,B1AB80.74
FOKFORSKOLINA,C3C140.74
FOKFORSKOLINA,C1CJT0.74
FOKFORSKOLINA,B,C1CUL0.74
FOKFORSKOLINA,C1CJV0.74
FOKFORSKOLINA,C3C150.74
FOKFORSKOLINA,C1U0H0.74
FOKFORSKOLINA,B,C1CS40.74
FOKFORSKOLINA,C1CJK0.74
GR4H,I1AWF0.77
OBNOUABAINH,L1IBG0.71
C0RCORTICOSTERONEA2A3I0.9
C0RCORTICOSTERONEA,B1Y5R0.9
AS4ALDOSTERONEA2AA20.86
AS4ALDOSTERONEA2Q1H0.86
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.8
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.8
DEXDEXAMETHASONEA,D1M2Z0.88
DEXDEXAMETHASONEA,B,C,D1P930.88
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.78
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.78
TESTESTOSTERONEA1JTV0.85
TESTESTOSTERONEA2Q7L0.85
TESTESTOSTERONEA2Q7I0.85
TESTESTOSTERONEA,B1J960.85
TESTESTOSTERONEA2Q7K0.85
TESTESTOSTERONEA,B1Q130.85
TESTESTOSTERONEH1I9J0.85
TESTESTOSTERONEA,B1AFS0.85
TESTESTOSTERONEH1VPO0.85
TESTESTOSTERONEA2Q7J0.85
TESTESTOSTERONEA,B3BUR0.85
TESTESTOSTERONEA2AM90.85
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.78
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.78
PRB13-ACETYLPHORBOLA1PTR0.75
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.84
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.84
MOUA,B2NPF0.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.89
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.89
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.89
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.82
HC325-HYDROXYCHOLESTEROLA1ZHX0.72
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.71
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.86
CLLCHOLESTERYL LINOLEATEA,B1CLE0.74
HC220-HYDROXYCHOLESTEROLA1ZHW0.72
DOGDIGOXIGENINA1LKE0.74
DTXDIGITOXIGENINA1LNM0.75
CBOCARBENOXOLONEA,B,C,D1HDC0.76
CBOCARBENOXOLONEA,B,C,D2BEL0.76
ZK59ALPHA-FLUOROCORTISOLA1GS40.89
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.7
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.7
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.7
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.7
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.7
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.7
ASD4-ANDROSTENE-3-17-DIONEA1XF00.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.85
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.85
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.85
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
2OBCHOLESTERYL OLEATEA2OBD0.74
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.78
JN3CHENODEOXYCHOLIC ACIDA2JN30.71
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,B1T020.71
114COMPACTINA,B,C,D1HW80.71
0ASasiatic acidA2QN10.79
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.71
SNLSPIRONOLACTONEA,B2AB20.71
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.91
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.91
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.71
GA4GIBBERELLIN A4A2ZSI0.71
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.71
GA4GIBBERELLIN A4H,I1KFA0.71
CHDCHOLIC ACIDA,B2PNJ0.71
CHDCHOLIC ACIDA,B1HRK0.71
CHDCHOLIC ACIDA,B2PO70.71
CHDCHOLIC ACIDA2QO60.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.71
CHDCHOLIC ACIDA2AZY0.71
CHDCHOLIC ACIDA,B,C2DQY0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.71
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.71
CHDCHOLIC ACIDA,B,C,D2QD10.71
CHDCHOLIC ACIDA2FT90.71
CHDCHOLIC ACIDA,B2HRC0.71
CHDCHOLIC ACIDA,B1TW40.71
CHDCHOLIC ACIDA,B2QD30.71
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.71
CHDCHOLIC ACIDA2RLC0.71
CHDCHOLIC ACIDA,B1ON50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.71
CHDCHOLIC ACIDA,B2QD40.71
CHDCHOLIC ACIDA2QO50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.71
CHDCHOLIC ACIDA,B2QD20.71
CHDCHOLIC ACIDA,B,C3ELZ0.71
CHDCHOLIC ACIDA,B2PO50.71
CHDCHOLIC ACIDA,B1S9Q0.71
CHDCHOLIC ACIDA,B1EE20.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.71
CHDCHOLIC ACIDA,B,C,D2HRE0.71
CHDCHOLIC ACIDA,B2QD50.71
CHDCHOLIC ACIDA,B3EM00.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.71
CHDCHOLIC ACIDA2QO40.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.71