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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03225077

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JN3CHENODEOXYCHOLIC ACIDA2JN30.73
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.73
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.73
CHDCHOLIC ACIDA,B2PNJ0.73
CHDCHOLIC ACIDA,B1HRK0.73
CHDCHOLIC ACIDA,B2PO70.73
CHDCHOLIC ACIDA2QO60.73
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.73
CHDCHOLIC ACIDA2AZY0.73
CHDCHOLIC ACIDA,B,C2DQY0.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.73
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.73
CHDCHOLIC ACIDA,B,C,D2QD10.73
CHDCHOLIC ACIDA2FT90.73
CHDCHOLIC ACIDA,B2HRC0.73
CHDCHOLIC ACIDA,B1TW40.73
CHDCHOLIC ACIDA,B2QD30.73
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.73
CHDCHOLIC ACIDA2RLC0.73
CHDCHOLIC ACIDA,B1ON50.73
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.73
CHDCHOLIC ACIDA,B2QD40.73
CHDCHOLIC ACIDA2QO50.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.73
CHDCHOLIC ACIDA,B2QD20.73
CHDCHOLIC ACIDA,B,C3ELZ0.73
CHDCHOLIC ACIDA,B2PO50.73
CHDCHOLIC ACIDA,B1S9Q0.73
CHDCHOLIC ACIDA,B1EE20.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.73
CHDCHOLIC ACIDA,B,C,D2HRE0.73
CHDCHOLIC ACIDA,B2QD50.73
CHDCHOLIC ACIDA,B3EM00.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.73
CHDCHOLIC ACIDA2QO40.73
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.73
0ASasiatic acidA2QN10.74
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.71
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.7
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.8
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.73
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.73
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
DOGDIGOXIGENINA1LKE0.72
0MAmaslinic acidA2QN20.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.75
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.75
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.75
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.75
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.75
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.75
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.75
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.75
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.75
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.75
CBOCARBENOXOLONEA,B,C,D1HDC0.8
CBOCARBENOXOLONEA,B,C,D2BEL0.8
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,B1BUQ0.8
FUAFUSIDIC ACIDA1QCA0.76
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.76
FUAFUSIDIC ACIDA,B2VUF0.76
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.7
CLLCHOLESTERYL LINOLEATEA,B1CLE0.74
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.81
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.81
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.81
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.81
2OBCHOLESTERYL OLEATEA2OBD0.74
DTXDIGITOXIGENINA1LNM0.73
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.73