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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03918691

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMR3,5-DIAMINO-N-(AMINOIMINOMETHYL)-
6-CHLOROPYRAZINECARBOXAMIDE
A1F5L0.74
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.7
8IG8-IODO-GUANINEA,B,C1C3X0.95
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
37TTHEOBROMINEA2EFJ0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.74
TEPTHEOPHYLLINEA1EHT0.78
TEPTHEOPHYLLINEA,B2A3A0.78
TEPTHEOPHYLLINEA1O150.78
HPAHYPOXANTHINEA1PNR0.88
HPAHYPOXANTHINEA2EET0.88
HPAHYPOXANTHINEA2PUG0.88
HPAHYPOXANTHINEA1A9T0.88
HPAHYPOXANTHINEA1BDI0.88
HPAHYPOXANTHINEA1QQA0.88
HPAHYPOXANTHINEA1VFN0.88
HPAHYPOXANTHINEA1VPW0.88
HPAHYPOXANTHINEA2EEV0.88
HPAHYPOXANTHINEA1A9Q0.88
HPAHYPOXANTHINEA1A9R0.88
HPAHYPOXANTHINEA2EEU0.88
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.88
HPAHYPOXANTHINEA1JFT0.88
HPAHYPOXANTHINEA2EEW0.88
HPAHYPOXANTHINEA2PUD0.88
HPAHYPOXANTHINEA1QP70.88
HPAHYPOXANTHINEA,M1ZAY0.88
HPAHYPOXANTHINEA1JH90.88
HPAHYPOXANTHINEA2EES0.88
HPAHYPOXANTHINEA1JFS0.88
HPAHYPOXANTHINEA1QP00.88
HPAHYPOXANTHINEA1QPZ0.88
HPAHYPOXANTHINEA1U8D0.88
HPAHYPOXANTHINEA1QQB0.88
HPAHYPOXANTHINEA1BDH0.88
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.88
HPAHYPOXANTHINEA1QP40.88
HPAHYPOXANTHINEA,B,C3FNQ0.88
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.71
CFFCAFFEINEA,B1L5Q0.71
CFFCAFFEINEA,B2A3B0.71
CFFCAFFEINEA,B1L7X0.71
CFFCAFFEINEA1GFZ0.71
CFFCAFFEINEA,B3DDW0.71
CFFCAFFEINEA,B3DD10.71
CFFCAFFEINEA,B3DDS0.71
CFFCAFFEINEA1C8L0.71
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.78
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.78
BRG8-BROMOGUANINEA,E1LWW1
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.74
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.74
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.71
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.82
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.71
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.71
ANG8-AMINOGUANINEA,C1M3Q0.97
ANG8-AMINOGUANINEA,E1LWV0.97
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.8
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.71
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.73
GUNGUANINEA,B1IT70.9
GUNGUANINEA,B,C,D3BP10.9
GUNGUANINEA1XT40.9
GUNGUANINEA1ULB0.9
GUNGUANINEA,B2I9U0.9
GUNGUANINEA2JH90.9
GUNGUANINEE1V2H0.9
GUNGUANINEA2JHA0.9
GUNGUANINEA,B,C,D1A950.9
GUNGUANINEA,B,C1XE70.9
GUNGUANINEA,B,C1YQQ0.9
GUNGUANINEA,B1D6A0.9
GUNGUANINEA1WET0.9
GUNGUANINEA2PUF0.9
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.9
GUNGUANINEA,B,C1VMK0.9
GUNGUANINEA,B,C1YQU0.9
GUNGUANINEA2JHC0.9
GUNGUANINEA2JH80.9
GUNGUANINEA2JHP0.9
GUNGUANINEA2PUC0.9
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.9
GUNGUANINEA,B,C,D,E,F2O740.9
GUNGUANINEA2PWU0.9
GUNGUANINEA2OOD0.9
GUNGUANINEA2POT0.9