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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00062644

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.77
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
GUNGUANINEA,B1IT70.72
GUNGUANINEA,B,C,D3BP10.72
GUNGUANINEA1XT40.72
GUNGUANINEA1ULB0.72
GUNGUANINEA,B2I9U0.72
GUNGUANINEA2JH90.72
GUNGUANINEE1V2H0.72
GUNGUANINEA2JHA0.72
GUNGUANINEA,B,C,D1A950.72
GUNGUANINEA,B,C1XE70.72
GUNGUANINEA,B,C1YQQ0.72
GUNGUANINEA,B1D6A0.72
GUNGUANINEA1WET0.72
GUNGUANINEA2PUF0.72
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P		1SQL0.72
GUNGUANINEA,B,C1VMK0.72
GUNGUANINEA,B,C1YQU0.72
GUNGUANINEA2JHC0.72
GUNGUANINEA2JH80.72
GUNGUANINEA2JHP0.72
GUNGUANINEA2PUC0.72
GUNGUANINEA,B,C,D,E,F,
G,H		1XY30.72
GUNGUANINEA,B,C,D,E,F2O740.72
GUNGUANINEA2PWU0.72
GUNGUANINEA2OOD0.72
GUNGUANINEA2POT0.72
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.74
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.88
XANXANTHINEA3GAO0.8
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.8
XANXANTHINEA,B,C,D,E,F1YR30.8
XANXANTHINEA2UZ90.8
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.8
XANXANTHINEA,B,C,D1A960.8
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE		A,C,E,G2EG50.74
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.73
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.71
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.74
ANG8-AMINOGUANINEA,C1M3Q0.71
ANG8-AMINOGUANINEA,E1LWV0.71
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.88
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.85
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.85
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.71
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.77
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.73
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.73
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE		A,B,C,D2AJ80.72
TEPTHEOPHYLLINEA1EHT0.83
TEPTHEOPHYLLINEA,B2A3A0.83
TEPTHEOPHYLLINEA1O150.83
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.74
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU30.75
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU00.75
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.71
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE		A2Z1W0.72
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE		A1N2V0.72
CFFCAFFEINEA,B1L5Q0.86
CFFCAFFEINEA,B2A3B0.86
CFFCAFFEINEA,B1L7X0.86
CFFCAFFEINEA1GFZ0.86
CFFCAFFEINEA,B3DDW0.86
CFFCAFFEINEA,B3DD10.86
CFFCAFFEINEA,B3DDS0.86
CFFCAFFEINEA1C8L0.86
LUZpteridine-2,4(1H,3H)-dioneA,B,C,L,M,N3ETR0.72
37TTHEOBROMINEA2EFJ0.88
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.83
HPAHYPOXANTHINEA1PNR0.72
HPAHYPOXANTHINEA2EET0.72
HPAHYPOXANTHINEA2PUG0.72
HPAHYPOXANTHINEA1A9T0.72
HPAHYPOXANTHINEA1BDI0.72
HPAHYPOXANTHINEA1QQA0.72
HPAHYPOXANTHINEA1VFN0.72
HPAHYPOXANTHINEA1VPW0.72
HPAHYPOXANTHINEA2EEV0.72
HPAHYPOXANTHINEA1A9Q0.72
HPAHYPOXANTHINEA1A9R0.72
HPAHYPOXANTHINEA2EEU0.72
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W550.72
HPAHYPOXANTHINEA1JFT0.72
HPAHYPOXANTHINEA2EEW0.72
HPAHYPOXANTHINEA2PUD0.72
HPAHYPOXANTHINEA1QP70.72
HPAHYPOXANTHINEA,M1ZAY0.72
HPAHYPOXANTHINEA1JH90.72
HPAHYPOXANTHINEA2EES0.72
HPAHYPOXANTHINEA1JFS0.72
HPAHYPOXANTHINEA1QP00.72
HPAHYPOXANTHINEA1QPZ0.72
HPAHYPOXANTHINEA1U8D0.72
HPAHYPOXANTHINEA1QQB0.72
HPAHYPOXANTHINEA1BDH0.72
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W3R0.72
HPAHYPOXANTHINEA1QP40.72
HPAHYPOXANTHINEA,B,C3FNQ0.72
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE		E1V3Q0.7
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.7