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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03403005

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BRG8-BROMOGUANINEA,E1LWW0.71
8IG8-IODO-GUANINEA,B,C1C3X0.72
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,E1T390.74
HPAHYPOXANTHINEA1PNR0.8
HPAHYPOXANTHINEA2EET0.8
HPAHYPOXANTHINEA2PUG0.8
HPAHYPOXANTHINEA1A9T0.8
HPAHYPOXANTHINEA1BDI0.8
HPAHYPOXANTHINEA1QQA0.8
HPAHYPOXANTHINEA1VFN0.8
HPAHYPOXANTHINEA1VPW0.8
HPAHYPOXANTHINEA2EEV0.8
HPAHYPOXANTHINEA1A9Q0.8
HPAHYPOXANTHINEA1A9R0.8
HPAHYPOXANTHINEA2EEU0.8
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.8
HPAHYPOXANTHINEA1JFT0.8
HPAHYPOXANTHINEA2EEW0.8
HPAHYPOXANTHINEA2PUD0.8
HPAHYPOXANTHINEA1QP70.8
HPAHYPOXANTHINEA,M1ZAY0.8
HPAHYPOXANTHINEA1JH90.8
HPAHYPOXANTHINEA2EES0.8
HPAHYPOXANTHINEA1JFS0.8
HPAHYPOXANTHINEA1QP00.8
HPAHYPOXANTHINEA1QPZ0.8
HPAHYPOXANTHINEA1U8D0.8
HPAHYPOXANTHINEA1QQB0.8
HPAHYPOXANTHINEA1BDH0.8
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.8
HPAHYPOXANTHINEA1QP40.8
HPAHYPOXANTHINEA,B,C3FNQ0.8
3MA6-AMINO-3-METHYLPURINEA3MAG0.7
M1A6-AMINO-1-METHYLPURINEA1B420.7
TEPTHEOPHYLLINEA1EHT0.92
TEPTHEOPHYLLINEA,B2A3A0.92
TEPTHEOPHYLLINEA1O150.92
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.93
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.93
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE
A,C,E,G2EG50.74
CFFCAFFEINEA,B1L5Q0.87
CFFCAFFEINEA,B2A3B0.87
CFFCAFFEINEA,B1L7X0.87
CFFCAFFEINEA1GFZ0.87
CFFCAFFEINEA,B3DDW0.87
CFFCAFFEINEA,B3DD10.87
CFFCAFFEINEA,B3DDS0.87
CFFCAFFEINEA1C8L0.87
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.71
2ND2'-DEOXYINOSINEA1Z390.7
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.88
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.75
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.85
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.83
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.83
XANXANTHINEA3GAO0.88
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.88
XANXANTHINEA,B,C,D,E,F1YR30.88
XANXANTHINEA2UZ90.88
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.88
XANXANTHINEA,B,C,D1A960.88
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE
A2JJA0.71
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.78
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.76
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.76
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.74
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.77
ANG8-AMINOGUANINEA,C1M3Q0.73
ANG8-AMINOGUANINEA,E1LWV0.73
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.73
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.72
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
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D2YWC0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BVJ0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CU00.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CZF0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2VXO0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BPW0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1QK50.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEW0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1P4R0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEI0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1LOL0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PL00.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1M9N0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PKX0.74
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.72
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.87
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.72
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
E1V3Q0.72
37TTHEOBROMINEA2EFJ0.88
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.72
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.79
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.8
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.84
GUNGUANINEA,B1IT70.8
GUNGUANINEA,B,C,D3BP10.8
GUNGUANINEA1XT40.8
GUNGUANINEA1ULB0.8
GUNGUANINEA,B2I9U0.8
GUNGUANINEA2JH90.8
GUNGUANINEE1V2H0.8
GUNGUANINEA2JHA0.8
GUNGUANINEA,B,C,D1A950.8
GUNGUANINEA,B,C1XE70.8
GUNGUANINEA,B,C1YQQ0.8
GUNGUANINEA,B1D6A0.8
GUNGUANINEA1WET0.8
GUNGUANINEA2PUF0.8
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.8
GUNGUANINEA,B,C1VMK0.8
GUNGUANINEA,B,C1YQU0.8
GUNGUANINEA2JHC0.8
GUNGUANINEA2JH80.8
GUNGUANINEA2JHP0.8
GUNGUANINEA2PUC0.8
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.8
GUNGUANINEA,B,C,D,E,F2O740.8
GUNGUANINEA2PWU0.8
GUNGUANINEA2OOD0.8
GUNGUANINEA2POT0.8