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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03247089

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.72
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
A2PLM0.73
TEPTHEOPHYLLINEA1EHT0.73
TEPTHEOPHYLLINEA,B2A3A0.73
TEPTHEOPHYLLINEA1O150.73
E1XPHOSPHORIC ACID MONO-[5-(1-ETHYL-
2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-
9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-
2-YLMETHYL]ESTER
C,E1T390.73
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.74
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.74
TGPA,C1SC70.71
TGPA,C,D1K4T0.71
TGPA,C,D1T8I0.71
TGPA,C,D1SEU0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.75
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE
A,C,E,G2EG50.75
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.73
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.73
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE
A2JJA0.74
CFFCAFFEINEA,B1L5Q0.75
CFFCAFFEINEA,B2A3B0.75
CFFCAFFEINEA,B1L7X0.75
CFFCAFFEINEA1GFZ0.75
CFFCAFFEINEA,B3DDW0.75
CFFCAFFEINEA,B3DD10.75
CFFCAFFEINEA,B3DDS0.75
CFFCAFFEINEA1C8L0.75
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.74
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.71
MG77-METHYLGUANOSINEA1EQA0.71
MG77-METHYLGUANOSINEA4DCG0.71
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.74
S4GA,B2RMQ0.74
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A,B1AC90.71
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A2F3T0.71
37TTHEOBROMINEA2EFJ0.76
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.7
13A7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-
2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-
2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4S-ONE
A,B,C,D2B1G0.72
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.74