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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03460080

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TEPTHEOPHYLLINEA1EHT0.75
TEPTHEOPHYLLINEA,B2A3A0.75
TEPTHEOPHYLLINEA1O150.75
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.78
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
ANG8-AMINOGUANINEA,C1M3Q0.71
ANG8-AMINOGUANINEA,E1LWV0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.73
AMR3,5-DIAMINO-N-(AMINOIMINOMETHYL)-
6-CHLOROPYRAZINECARBOXAMIDE
A1F5L0.83
CFFCAFFEINEA,B1L5Q0.74
CFFCAFFEINEA,B2A3B0.74
CFFCAFFEINEA,B1L7X0.74
CFFCAFFEINEA1GFZ0.74
CFFCAFFEINEA,B3DDW0.74
CFFCAFFEINEA,B3DD10.74
CFFCAFFEINEA,B3DDS0.74
CFFCAFFEINEA1C8L0.74
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.76
XANXANTHINEA3GAO0.72
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.72
XANXANTHINEA,B,C,D,E,F1YR30.72
XANXANTHINEA2UZ90.72
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.72
XANXANTHINEA,B,C,D1A960.72
37TTHEOBROMINEA2EFJ0.76
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.71
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
BRG8-BROMOGUANINEA,E1LWW0.74