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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03203427

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.72
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.81
C2R5-AMINO-1-(5-O-PHOSPHONO-BETA-D-
RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID		A2NSJ0.7
C2R5-AMINO-1-(5-O-PHOSPHONO-BETA-D-
RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID		A,B2GQS0.7
C2R5-AMINO-1-(5-O-PHOSPHONO-BETA-D-
RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID		A2NSL0.7
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.75
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.77
GUNGUANINEA,B1IT70.7
GUNGUANINEA,B,C,D3BP10.7
GUNGUANINEA1XT40.7
GUNGUANINEA1ULB0.7
GUNGUANINEA,B2I9U0.7
GUNGUANINEA2JH90.7
GUNGUANINEE1V2H0.7
GUNGUANINEA2JHA0.7
GUNGUANINEA,B,C,D1A950.7
GUNGUANINEA,B,C1XE70.7
GUNGUANINEA,B,C1YQQ0.7
GUNGUANINEA,B1D6A0.7
GUNGUANINEA1WET0.7
GUNGUANINEA2PUF0.7
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P		1SQL0.7
GUNGUANINEA,B,C1VMK0.7
GUNGUANINEA,B,C1YQU0.7
GUNGUANINEA2JHC0.7
GUNGUANINEA2JH80.7
GUNGUANINEA2JHP0.7
GUNGUANINEA2PUC0.7
GUNGUANINEA,B,C,D,E,F,
G,H		1XY30.7
GUNGUANINEA,B,C,D,E,F2O740.7
GUNGUANINEA2PWU0.7
GUNGUANINEA2OOD0.7
GUNGUANINEA2POT0.7
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.7
TEPTHEOPHYLLINEA1EHT0.74
TEPTHEOPHYLLINEA,B2A3A0.74
TEPTHEOPHYLLINEA1O150.74
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.74
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.71
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.71
NDM7,9-DIMETHYLGUANINEA1JSZ0.71
37TTHEOBROMINEA2EFJ0.77
XANXANTHINEA3GAO0.71
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.71
XANXANTHINEA,B,C,D,E,F1YR30.71
XANXANTHINEA2UZ90.71
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.71
XANXANTHINEA,B,C,D1A960.71
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.73
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.73
CFFCAFFEINEA,B1L5Q0.75
CFFCAFFEINEA,B2A3B0.75
CFFCAFFEINEA,B1L7X0.75
CFFCAFFEINEA1GFZ0.75
CFFCAFFEINEA,B3DDW0.75
CFFCAFFEINEA,B3DD10.75
CFFCAFFEINEA,B3DDS0.75
CFFCAFFEINEA1C8L0.75
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B,C,D2NYN0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B,C,D,E,F,
G,H		2O6Y0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B,C,D,E,F,
G,H		2O780.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B,C,D,E,F,
G,H		2O7F0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B2RJR0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B,C,D,E,F,
G,H		2O7E0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A2NYF0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B,C,D,E,F,
G,H		2O7B0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B2QVE0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B,C,D3CZO0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B2RJS0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B2OHY0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B,C,D,E,F,
G,H		2O7D0.71
MDO{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-
4-METHYL-1H-IMIDAZOL-1-YL}ACETIC ACID		A,B1W270.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.81
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.71
HPAHYPOXANTHINEA1PNR0.7
HPAHYPOXANTHINEA2EET0.7
HPAHYPOXANTHINEA2PUG0.7
HPAHYPOXANTHINEA1A9T0.7
HPAHYPOXANTHINEA1BDI0.7
HPAHYPOXANTHINEA1QQA0.7
HPAHYPOXANTHINEA1VFN0.7
HPAHYPOXANTHINEA1VPW0.7
HPAHYPOXANTHINEA2EEV0.7
HPAHYPOXANTHINEA1A9Q0.7
HPAHYPOXANTHINEA1A9R0.7
HPAHYPOXANTHINEA2EEU0.7
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W550.7
HPAHYPOXANTHINEA1JFT0.7
HPAHYPOXANTHINEA2EEW0.7
HPAHYPOXANTHINEA2PUD0.7
HPAHYPOXANTHINEA1QP70.7
HPAHYPOXANTHINEA,M1ZAY0.7
HPAHYPOXANTHINEA1JH90.7
HPAHYPOXANTHINEA2EES0.7
HPAHYPOXANTHINEA1JFS0.7
HPAHYPOXANTHINEA1QP00.7
HPAHYPOXANTHINEA1QPZ0.7
HPAHYPOXANTHINEA1U8D0.7
HPAHYPOXANTHINEA1QQB0.7
HPAHYPOXANTHINEA1BDH0.7
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W3R0.7
HPAHYPOXANTHINEA1QP40.7
HPAHYPOXANTHINEA,B,C3FNQ0.7