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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03124975

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.72
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.72
TEPTHEOPHYLLINEA1EHT0.7
TEPTHEOPHYLLINEA,B2A3A0.7
TEPTHEOPHYLLINEA1O150.7
G383'-AMINO-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A,B,C,D,E,F363D0.7
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.71
CFFCAFFEINEA,B1L5Q0.71
CFFCAFFEINEA,B2A3B0.71
CFFCAFFEINEA,B1L7X0.71
CFFCAFFEINEA1GFZ0.71
CFFCAFFEINEA,B3DDW0.71
CFFCAFFEINEA,B3DD10.71
CFFCAFFEINEA,B3DDS0.71
CFFCAFFEINEA1C8L0.71
2ND2'-DEOXYINOSINEA1Z390.7
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
E1V3Q0.71
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.8
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.78
37TTHEOBROMINEA2EFJ0.72
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.7
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.76
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.74
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.74
MG77-METHYLGUANOSINEA1EQA0.71
MG77-METHYLGUANOSINEA4DCG0.71
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE
A2JJA0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.82
SIB(2S)-2-AMINO-4-({[(2S,3S,4R,5R)-
3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-
9H-PURIN-9-YL)TETRAHYDROFURAN-2-
YL]METHYL}THIO)BUTANOIC ACID
A2PLM0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.7