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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03390839

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.89
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.81
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.81
HPAHYPOXANTHINEA1PNR0.82
HPAHYPOXANTHINEA2EET0.82
HPAHYPOXANTHINEA2PUG0.82
HPAHYPOXANTHINEA1A9T0.82
HPAHYPOXANTHINEA1BDI0.82
HPAHYPOXANTHINEA1QQA0.82
HPAHYPOXANTHINEA1VFN0.82
HPAHYPOXANTHINEA1VPW0.82
HPAHYPOXANTHINEA2EEV0.82
HPAHYPOXANTHINEA1A9Q0.82
HPAHYPOXANTHINEA1A9R0.82
HPAHYPOXANTHINEA2EEU0.82
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.82
HPAHYPOXANTHINEA1JFT0.82
HPAHYPOXANTHINEA2EEW0.82
HPAHYPOXANTHINEA2PUD0.82
HPAHYPOXANTHINEA1QP70.82
HPAHYPOXANTHINEA,M1ZAY0.82
HPAHYPOXANTHINEA1JH90.82
HPAHYPOXANTHINEA2EES0.82
HPAHYPOXANTHINEA1JFS0.82
HPAHYPOXANTHINEA1QP00.82
HPAHYPOXANTHINEA1QPZ0.82
HPAHYPOXANTHINEA1U8D0.82
HPAHYPOXANTHINEA1QQB0.82
HPAHYPOXANTHINEA1BDH0.82
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.82
HPAHYPOXANTHINEA1QP40.82
HPAHYPOXANTHINEA,B,C3FNQ0.82
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
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.78
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.74
8IG8-IODO-GUANINEA,B,C1C3X0.74
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.71
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.71
CFFCAFFEINEA,B1L5Q0.73
CFFCAFFEINEA,B2A3B0.73
CFFCAFFEINEA,B1L7X0.73
CFFCAFFEINEA1GFZ0.73
CFFCAFFEINEA,B3DDW0.73
CFFCAFFEINEA,B3DD10.73
CFFCAFFEINEA,B3DDS0.73
CFFCAFFEINEA1C8L0.73
ANG8-AMINOGUANINEA,C1M3Q0.75
ANG8-AMINOGUANINEA,E1LWV0.75
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.76
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.7
37TTHEOBROMINEA2EFJ0.76
GUNGUANINEA,B1IT70.82
GUNGUANINEA,B,C,D3BP10.82
GUNGUANINEA1XT40.82
GUNGUANINEA1ULB0.82
GUNGUANINEA,B2I9U0.82
GUNGUANINEA2JH90.82
GUNGUANINEE1V2H0.82
GUNGUANINEA2JHA0.82
GUNGUANINEA,B,C,D1A950.82
GUNGUANINEA,B,C1XE70.82
GUNGUANINEA,B,C1YQQ0.82
GUNGUANINEA,B1D6A0.82
GUNGUANINEA1WET0.82
GUNGUANINEA2PUF0.82
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.82
GUNGUANINEA,B,C1VMK0.82
GUNGUANINEA,B,C1YQU0.82
GUNGUANINEA2JHC0.82
GUNGUANINEA2JH80.82
GUNGUANINEA2JHP0.82
GUNGUANINEA2PUC0.82
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.82
GUNGUANINEA,B,C,D,E,F2O740.82
GUNGUANINEA2PWU0.82
GUNGUANINEA2OOD0.82
GUNGUANINEA2POT0.82
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
TEPTHEOPHYLLINEA1EHT0.81
TEPTHEOPHYLLINEA,B2A3A0.81
TEPTHEOPHYLLINEA1O150.81
BRG8-BROMOGUANINEA,E1LWW0.74