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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02462522

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B1T020.73
114COMPACTINA,B,C,D1HW80.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.76
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.76
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.76
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,C1YA80.74
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.72
803LOVASTATINA,B1CQP0.75
CBOCARBENOXOLONEA,B,C,D1HDC0.92
CBOCARBENOXOLONEA,B,C,D2BEL0.92
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.7
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.7
CLLCHOLESTERYL LINOLEATEA,B1CLE0.82
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.81
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,D1AWH0.77
2OBCHOLESTERYL OLEATEA2OBD0.82
JN3CHENODEOXYCHOLIC ACIDA2JN30.7
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
1CADESOXYCORTICOSTERONEA,B1Y9R0.74
1CADESOXYCORTICOSTERONEA,B,C2ABI0.74
1CADESOXYCORTICOSTERONEA2Q3Y0.74
1CADESOXYCORTICOSTERONEA2AA70.74
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.77
FUAFUSIDIC ACIDA1QCA0.75
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.75
FUAFUSIDIC ACIDA,B2VUF0.75
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.7
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.7
CHDCHOLIC ACIDA,B2PNJ0.7
CHDCHOLIC ACIDA,B1HRK0.7
CHDCHOLIC ACIDA,B2PO70.7
CHDCHOLIC ACIDA2QO60.7
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.7
CHDCHOLIC ACIDA2AZY0.7
CHDCHOLIC ACIDA,B,C2DQY0.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.7
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.7
CHDCHOLIC ACIDA,B,C,D2QD10.7
CHDCHOLIC ACIDA2FT90.7
CHDCHOLIC ACIDA,B2HRC0.7
CHDCHOLIC ACIDA,B1TW40.7
CHDCHOLIC ACIDA,B2QD30.7
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.7
CHDCHOLIC ACIDA2RLC0.7
CHDCHOLIC ACIDA,B1ON50.7
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.7
CHDCHOLIC ACIDA,B2QD40.7
CHDCHOLIC ACIDA2QO50.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.7
CHDCHOLIC ACIDA,B2QD20.7
CHDCHOLIC ACIDA,B,C3ELZ0.7
CHDCHOLIC ACIDA,B2PO50.7
CHDCHOLIC ACIDA,B1S9Q0.7
CHDCHOLIC ACIDA,B1EE20.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.7
CHDCHOLIC ACIDA,B,C,D2HRE0.7
CHDCHOLIC ACIDA,B2QD50.7
CHDCHOLIC ACIDA,B3EM00.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.7
CHDCHOLIC ACIDA2QO40.7
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.7
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.77
DTXDIGITOXIGENINA1LNM0.7
C0RCORTICOSTERONEA2A3I0.74
C0RCORTICOSTERONEA,B1Y5R0.74
0ASasiatic acidA2QN10.9
0MAmaslinic acidA2QN20.87
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
ZK59ALPHA-FLUOROCORTISOLA1GS40.7
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.82
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.82
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.82
TESTESTOSTERONEA1JTV0.76
TESTESTOSTERONEA2Q7L0.76
TESTESTOSTERONEA2Q7I0.76
TESTESTOSTERONEA,B1J960.76
TESTESTOSTERONEA2Q7K0.76
TESTESTOSTERONEA,B1Q130.76
TESTESTOSTERONEH1I9J0.76
TESTESTOSTERONEA,B1AFS0.76
TESTESTOSTERONEH1VPO0.76
TESTESTOSTERONEA2Q7J0.76
TESTESTOSTERONEA,B3BUR0.76
TESTESTOSTERONEA2AM90.76
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.91
AS4ALDOSTERONEA2AA20.71
AS4ALDOSTERONEA2Q1H0.71
SIMSIMVASTATINA,B,C,D1HW90.76
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.78
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
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,B1BUQ0.81
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.72