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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03266397

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
1QPY0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.72
ANG8-AMINOGUANINEA,C1M3Q0.8
ANG8-AMINOGUANINEA,E1LWV0.8
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.71
A2F2-fluoroadenineA3GOT0.72
A2F2-fluoroadenineA,B,C3GB90.72
TEPTHEOPHYLLINEA1EHT0.92
TEPTHEOPHYLLINEA,B2A3A0.92
TEPTHEOPHYLLINEA1O150.92
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.73
CFFCAFFEINEA,B1L5Q0.83
CFFCAFFEINEA,B2A3B0.83
CFFCAFFEINEA,B1L7X0.83
CFFCAFFEINEA1GFZ0.83
CFFCAFFEINEA,B3DDW0.83
CFFCAFFEINEA,B3DD10.83
CFFCAFFEINEA,B3DDS0.83
CFFCAFFEINEA1C8L0.83
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.7
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.71
ADEADENINEA1WEI0.74
ADEADENINEA2QLU0.74
ADEADENINEA,B2H8G0.74
ADEADENINEA,B1HQC0.74
ADEADENINEA1AHA0.74
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.74
ADEADENINEA,B,D1YXM0.74
ADEADENINEA1CB00.74
ADEADENINEA,B2QTT0.74
ADEADENINEA,B,C1XE80.74
ADEADENINEA,B1M2T0.74
ADEADENINEA2P8N0.74
ADEADENINEA,B,C2PQJ0.74
ADEADENINEA,B,C1VRL0.74
ADEADENINEA,B3BSF0.74
ADEADENINEX1Y260.74
ADEADENINEA,B1ZN70.74
ADEADENINEA,B1Z5N0.74
ADEADENINEA1QB70.74
ADEADENINEA1LU10.74
ADEADENINEA,B1Q8Y0.74
ADEADENINEA2QES0.74
ADEADENINEA2PUB0.74
ADEADENINEA1Z8D0.74
ADEADENINEA1JH80.74
ADEADENINEA1QD20.74
ADEADENINEA2ICS0.74
ADEADENINEA1IFS0.74
ADEADENINEA1NLI0.74
ADEADENINEA,B1D2A0.74
ADEADENINEA1GIU0.74
ADEADENINEA1J1R0.74
ADEADENINEA2QET0.74
ADEADENINEA,B,C1OD40.74
ADEADENINEA,B1QCI0.74
ADEADENINEA,B,C,D,E,F2GA40.74
ADEADENINEA,B1JYS0.74
ADEADENINEA1LPD0.74
ADEADENINEA,B1OD20.74
ADEADENINEA1WTA0.74
ADEADENINEA,B,C1S2D0.74
ADEADENINEA1MUD0.74
ADEADENINEA2PUE0.74
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.72
M1A6-AMINO-1-METHYLPURINEA1B420.74
3MA6-AMINO-3-METHYLPURINEA3MAG0.74
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.76
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.75
BRG8-BROMOGUANINEA,E1LWW0.78
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.73
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.73
8IG8-IODO-GUANINEA,B,C1C3X0.79
XANXANTHINEA3GAO0.92
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.92
XANXANTHINEA,B,C,D,E,F1YR30.92
XANXANTHINEA2UZ90.92
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.92
XANXANTHINEA,B,C,D1A960.92
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.91
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.87
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.87
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.71
GUNGUANINEA,B1IT70.88
GUNGUANINEA,B,C,D3BP10.88
GUNGUANINEA1XT40.88
GUNGUANINEA1ULB0.88
GUNGUANINEA,B2I9U0.88
GUNGUANINEA2JH90.88
GUNGUANINEE1V2H0.88
GUNGUANINEA2JHA0.88
GUNGUANINEA,B,C,D1A950.88
GUNGUANINEA,B,C1XE70.88
GUNGUANINEA,B,C1YQQ0.88
GUNGUANINEA,B1D6A0.88
GUNGUANINEA1WET0.88
GUNGUANINEA2PUF0.88
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.88
GUNGUANINEA,B,C1VMK0.88
GUNGUANINEA,B,C1YQU0.88
GUNGUANINEA2JHC0.88
GUNGUANINEA2JH80.88
GUNGUANINEA2JHP0.88
GUNGUANINEA2PUC0.88
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.88
GUNGUANINEA,B,C,D,E,F2O740.88
GUNGUANINEA2PWU0.88
GUNGUANINEA2OOD0.88
GUNGUANINEA2POT0.88
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.88
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.75
6AP9H-PURINE-2,6-DIAMINEA2B570.74
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.87
37TTHEOBROMINEA2EFJ0.87
HPAHYPOXANTHINEA1PNR0.86
HPAHYPOXANTHINEA2EET0.86
HPAHYPOXANTHINEA2PUG0.86
HPAHYPOXANTHINEA1A9T0.86
HPAHYPOXANTHINEA1BDI0.86
HPAHYPOXANTHINEA1QQA0.86
HPAHYPOXANTHINEA1VFN0.86
HPAHYPOXANTHINEA1VPW0.86
HPAHYPOXANTHINEA2EEV0.86
HPAHYPOXANTHINEA1A9Q0.86
HPAHYPOXANTHINEA1A9R0.86
HPAHYPOXANTHINEA2EEU0.86
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.86
HPAHYPOXANTHINEA1JFT0.86
HPAHYPOXANTHINEA2EEW0.86
HPAHYPOXANTHINEA2PUD0.86
HPAHYPOXANTHINEA1QP70.86
HPAHYPOXANTHINEA,M1ZAY0.86
HPAHYPOXANTHINEA1JH90.86
HPAHYPOXANTHINEA2EES0.86
HPAHYPOXANTHINEA1JFS0.86
HPAHYPOXANTHINEA1QP00.86
HPAHYPOXANTHINEA1QPZ0.86
HPAHYPOXANTHINEA1U8D0.86
HPAHYPOXANTHINEA1QQB0.86
HPAHYPOXANTHINEA1BDH0.86
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.86
HPAHYPOXANTHINEA1QP40.86
HPAHYPOXANTHINEA,B,C3FNQ0.86
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.73