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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03204241

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.72
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.85
ADEADENINEA1WEI0.72
ADEADENINEA2QLU0.72
ADEADENINEA,B2H8G0.72
ADEADENINEA,B1HQC0.72
ADEADENINEA1AHA0.72
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.72
ADEADENINEA,B,D1YXM0.72
ADEADENINEA1CB00.72
ADEADENINEA,B2QTT0.72
ADEADENINEA,B,C1XE80.72
ADEADENINEA,B1M2T0.72
ADEADENINEA2P8N0.72
ADEADENINEA,B,C2PQJ0.72
ADEADENINEA,B,C1VRL0.72
ADEADENINEA,B3BSF0.72
ADEADENINEX1Y260.72
ADEADENINEA,B1ZN70.72
ADEADENINEA,B1Z5N0.72
ADEADENINEA1QB70.72
ADEADENINEA1LU10.72
ADEADENINEA,B1Q8Y0.72
ADEADENINEA2QES0.72
ADEADENINEA2PUB0.72
ADEADENINEA1Z8D0.72
ADEADENINEA1JH80.72
ADEADENINEA1QD20.72
ADEADENINEA2ICS0.72
ADEADENINEA1IFS0.72
ADEADENINEA1NLI0.72
ADEADENINEA,B1D2A0.72
ADEADENINEA1GIU0.72
ADEADENINEA1J1R0.72
ADEADENINEA2QET0.72
ADEADENINEA,B,C1OD40.72
ADEADENINEA,B1QCI0.72
ADEADENINEA,B,C,D,E,F2GA40.72
ADEADENINEA,B1JYS0.72
ADEADENINEA1LPD0.72
ADEADENINEA,B1OD20.72
ADEADENINEA1WTA0.72
ADEADENINEA,B,C1S2D0.72
ADEADENINEA1MUD0.72
ADEADENINEA2PUE0.72
37TTHEOBROMINEA2EFJ0.89
GUNGUANINEA,B1IT70.86
GUNGUANINEA,B,C,D3BP10.86
GUNGUANINEA1XT40.86
GUNGUANINEA1ULB0.86
GUNGUANINEA,B2I9U0.86
GUNGUANINEA2JH90.86
GUNGUANINEE1V2H0.86
GUNGUANINEA2JHA0.86
GUNGUANINEA,B,C,D1A950.86
GUNGUANINEA,B,C1XE70.86
GUNGUANINEA,B,C1YQQ0.86
GUNGUANINEA,B1D6A0.86
GUNGUANINEA1WET0.86
GUNGUANINEA2PUF0.86
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P		1SQL0.86
GUNGUANINEA,B,C1VMK0.86
GUNGUANINEA,B,C1YQU0.86
GUNGUANINEA2JHC0.86
GUNGUANINEA2JH80.86
GUNGUANINEA2JHP0.86
GUNGUANINEA2PUC0.86
GUNGUANINEA,B,C,D,E,F,
G,H		1XY30.86
GUNGUANINEA,B,C,D,E,F2O740.86
GUNGUANINEA2PWU0.86
GUNGUANINEA2OOD0.86
GUNGUANINEA2POT0.86
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,C1C3X0.78
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.89
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.89
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.75
M1A6-AMINO-1-METHYLPURINEA1B420.73
ANG8-AMINOGUANINEA,C1M3Q0.79
ANG8-AMINOGUANINEA,E1LWV0.79
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.89
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.72
6AP9H-PURINE-2,6-DIAMINEA2B570.72
CFFCAFFEINEA,B1L5Q0.85
CFFCAFFEINEA,B2A3B0.85
CFFCAFFEINEA,B1L7X0.85
CFFCAFFEINEA1GFZ0.85
CFFCAFFEINEA,B3DDW0.85
CFFCAFFEINEA,B3DD10.85
CFFCAFFEINEA,B3DDS0.85
CFFCAFFEINEA1C8L0.85
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.75
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.75
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
A2F2-fluoroadenineA3GOT0.71
A2F2-fluoroadenineA,B,C3GB90.71
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.77
BRG8-BROMOGUANINEA,E1LWW0.77
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
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU30.89
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU00.89
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE		A2Z1W0.7
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE		A1N2V0.7
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.72
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.77
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.75
TEPTHEOPHYLLINEA1EHT0.94
TEPTHEOPHYLLINEA,B2A3A0.94
TEPTHEOPHYLLINEA1O150.94