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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02388286

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPAHYPOXANTHINEA1PNR0.9
HPAHYPOXANTHINEA2EET0.9
HPAHYPOXANTHINEA2PUG0.9
HPAHYPOXANTHINEA1A9T0.9
HPAHYPOXANTHINEA1BDI0.9
HPAHYPOXANTHINEA1QQA0.9
HPAHYPOXANTHINEA1VFN0.9
HPAHYPOXANTHINEA1VPW0.9
HPAHYPOXANTHINEA2EEV0.9
HPAHYPOXANTHINEA1A9Q0.9
HPAHYPOXANTHINEA1A9R0.9
HPAHYPOXANTHINEA2EEU0.9
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.9
HPAHYPOXANTHINEA1JFT0.9
HPAHYPOXANTHINEA2EEW0.9
HPAHYPOXANTHINEA2PUD0.9
HPAHYPOXANTHINEA1QP70.9
HPAHYPOXANTHINEA,M1ZAY0.9
HPAHYPOXANTHINEA1JH90.9
HPAHYPOXANTHINEA2EES0.9
HPAHYPOXANTHINEA1JFS0.9
HPAHYPOXANTHINEA1QP00.9
HPAHYPOXANTHINEA1QPZ0.9
HPAHYPOXANTHINEA1U8D0.9
HPAHYPOXANTHINEA1QQB0.9
HPAHYPOXANTHINEA1BDH0.9
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.9
HPAHYPOXANTHINEA1QP40.9
HPAHYPOXANTHINEA,B,C3FNQ0.9
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.73
XANXANTHINEA3GAO0.83
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.83
XANXANTHINEA,B,C,D,E,F1YR30.83
XANXANTHINEA2UZ90.83
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.83
XANXANTHINEA,B,C,D1A960.83
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.72
8IG8-IODO-GUANINEA,B,C1C3X0.98
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.84
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.73
GUNGUANINEA,B1IT70.92
GUNGUANINEA,B,C,D3BP10.92
GUNGUANINEA1XT40.92
GUNGUANINEA1ULB0.92
GUNGUANINEA,B2I9U0.92
GUNGUANINEA2JH90.92
GUNGUANINEE1V2H0.92
GUNGUANINEA2JHA0.92
GUNGUANINEA,B,C,D1A950.92
GUNGUANINEA,B,C1XE70.92
GUNGUANINEA,B,C1YQQ0.92
GUNGUANINEA,B1D6A0.92
GUNGUANINEA1WET0.92
GUNGUANINEA2PUF0.92
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.92
GUNGUANINEA,B,C1VMK0.92
GUNGUANINEA,B,C1YQU0.92
GUNGUANINEA2JHC0.92
GUNGUANINEA2JH80.92
GUNGUANINEA2JHP0.92
GUNGUANINEA2PUC0.92
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.92
GUNGUANINEA,B,C,D,E,F2O740.92
GUNGUANINEA2PWU0.92
GUNGUANINEA2OOD0.92
GUNGUANINEA2POT0.92
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.8
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.8
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.76
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.76
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.73
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.73
CFFCAFFEINEA,B1L5Q0.73
CFFCAFFEINEA,B2A3B0.73
CFFCAFFEINEA,B1L7X0.73
CFFCAFFEINEA1GFZ0.73
CFFCAFFEINEA,B3DDW0.73
CFFCAFFEINEA,B3DD10.73
CFFCAFFEINEA,B3DDS0.73
CFFCAFFEINEA1C8L0.73
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.73
BRG8-BROMOGUANINEA,E1LWW0.97
TEPTHEOPHYLLINEA1EHT0.8
TEPTHEOPHYLLINEA,B2A3A0.8
TEPTHEOPHYLLINEA1O150.8
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.76
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.74
37TTHEOBROMINEA2EFJ0.76
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.83
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.83
AMR3,5-DIAMINO-N-(AMINOIMINOMETHYL)-
6-CHLOROPYRAZINECARBOXAMIDE
A1F5L0.76
ANG8-AMINOGUANINEA,C1M3Q1
ANG8-AMINOGUANINEA,E1LWV1