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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02656506

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.75
TEPTHEOPHYLLINEA1EHT0.85
TEPTHEOPHYLLINEA,B2A3A0.85
TEPTHEOPHYLLINEA1O150.85
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.79
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
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.7
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.92
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.73
2801-methyl-1H-imidazole-5-carbaldehydeX2RBY0.74
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.78
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.76
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
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.78
GUNGUANINEA,B1IT70.85
GUNGUANINEA,B,C,D3BP10.85
GUNGUANINEA1XT40.85
GUNGUANINEA1ULB0.85
GUNGUANINEA,B2I9U0.85
GUNGUANINEA2JH90.85
GUNGUANINEE1V2H0.85
GUNGUANINEA2JHA0.85
GUNGUANINEA,B,C,D1A950.85
GUNGUANINEA,B,C1XE70.85
GUNGUANINEA,B,C1YQQ0.85
GUNGUANINEA,B1D6A0.85
GUNGUANINEA1WET0.85
GUNGUANINEA2PUF0.85
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P		1SQL0.85
GUNGUANINEA,B,C1VMK0.85
GUNGUANINEA,B,C1YQU0.85
GUNGUANINEA2JHC0.85
GUNGUANINEA2JH80.85
GUNGUANINEA2JHP0.85
GUNGUANINEA2PUC0.85
GUNGUANINEA,B,C,D,E,F,
G,H		1XY30.85
GUNGUANINEA,B,C,D,E,F2O740.85
GUNGUANINEA2PWU0.85
GUNGUANINEA2OOD0.85
GUNGUANINEA2POT0.85
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.79
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.79
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A,B1AC90.72
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A2F3T0.72
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.75
HPAHYPOXANTHINEA1PNR0.85
HPAHYPOXANTHINEA2EET0.85
HPAHYPOXANTHINEA2PUG0.85
HPAHYPOXANTHINEA1A9T0.85
HPAHYPOXANTHINEA1BDI0.85
HPAHYPOXANTHINEA1QQA0.85
HPAHYPOXANTHINEA1VFN0.85
HPAHYPOXANTHINEA1VPW0.85
HPAHYPOXANTHINEA2EEV0.85
HPAHYPOXANTHINEA1A9Q0.85
HPAHYPOXANTHINEA1A9R0.85
HPAHYPOXANTHINEA2EEU0.85
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W550.85
HPAHYPOXANTHINEA1JFT0.85
HPAHYPOXANTHINEA2EEW0.85
HPAHYPOXANTHINEA2PUD0.85
HPAHYPOXANTHINEA1QP70.85
HPAHYPOXANTHINEA,M1ZAY0.85
HPAHYPOXANTHINEA1JH90.85
HPAHYPOXANTHINEA2EES0.85
HPAHYPOXANTHINEA1JFS0.85
HPAHYPOXANTHINEA1QP00.85
HPAHYPOXANTHINEA1QPZ0.85
HPAHYPOXANTHINEA1U8D0.85
HPAHYPOXANTHINEA1QQB0.85
HPAHYPOXANTHINEA1BDH0.85
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W3R0.85
HPAHYPOXANTHINEA1QP40.85
HPAHYPOXANTHINEA,B,C3FNQ0.85
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.76
CFFCAFFEINEA,B1L5Q0.84
CFFCAFFEINEA,B2A3B0.84
CFFCAFFEINEA,B1L7X0.84
CFFCAFFEINEA1GFZ0.84
CFFCAFFEINEA,B3DDW0.84
CFFCAFFEINEA,B3DD10.84
CFFCAFFEINEA,B3DDS0.84
CFFCAFFEINEA1C8L0.84
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.76
8IG8-IODO-GUANINEA,B,C1C3X0.76
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.75
BRG8-BROMOGUANINEA,E1LWW0.75
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.72
37TTHEOBROMINEA2EFJ0.88
ANG8-AMINOGUANINEA,C1M3Q0.77
ANG8-AMINOGUANINEA,E1LWV0.77
AMR3,5-DIAMINO-N-(AMINOIMINOMETHYL)-
6-CHLOROPYRAZINECARBOXAMIDE		A1F5L0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.8
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.8