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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03520508

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.71
37TTHEOBROMINEA2EFJ0.75
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE
A,C,E,G2EG50.72
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.78
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.7
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,E1T390.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D2YWC0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BVJ0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CU00.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CZF0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2VXO0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BPW0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1QK50.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEW0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1P4R0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEI0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1LOL0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PL00.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1M9N0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PKX0.71
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
A2PLM0.7
TEPTHEOPHYLLINEA1EHT0.77
TEPTHEOPHYLLINEA,B2A3A0.77
TEPTHEOPHYLLINEA1O150.77
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.73
XANXANTHINEA3GAO0.74
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.74
XANXANTHINEA,B,C,D,E,F1YR30.74
XANXANTHINEA2UZ90.74
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.74
XANXANTHINEA,B,C,D1A960.74
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.75
CFFCAFFEINEA,B1L5Q0.74
CFFCAFFEINEA,B2A3B0.74
CFFCAFFEINEA,B1L7X0.74
CFFCAFFEINEA1GFZ0.74
CFFCAFFEINEA,B3DDW0.74
CFFCAFFEINEA,B3DD10.74
CFFCAFFEINEA,B3DDS0.74
CFFCAFFEINEA1C8L0.74
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.72
S4GA,B2RMQ0.74
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.76
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.7
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.7
TGPA,C1SC70.7
TGPA,C,D1K4T0.7
TGPA,C,D1T8I0.7
TGPA,C,D1SEU0.7