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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02125919

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
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.71
BRG8-BROMOGUANINEA,E1LWW0.71
GUNGUANINEA,B1IT70.72
GUNGUANINEA,B,C,D3BP10.72
GUNGUANINEA1XT40.72
GUNGUANINEA1ULB0.72
GUNGUANINEA,B2I9U0.72
GUNGUANINEA2JH90.72
GUNGUANINEE1V2H0.72
GUNGUANINEA2JHA0.72
GUNGUANINEA,B,C,D1A950.72
GUNGUANINEA,B,C1XE70.72
GUNGUANINEA,B,C1YQQ0.72
GUNGUANINEA,B1D6A0.72
GUNGUANINEA1WET0.72
GUNGUANINEA2PUF0.72
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.72
GUNGUANINEA,B,C1VMK0.72
GUNGUANINEA,B,C1YQU0.72
GUNGUANINEA2JHC0.72
GUNGUANINEA2JH80.72
GUNGUANINEA2JHP0.72
GUNGUANINEA2PUC0.72
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.72
GUNGUANINEA,B,C,D,E,F2O740.72
GUNGUANINEA2PWU0.72
GUNGUANINEA2OOD0.72
GUNGUANINEA2POT0.72
AMR3,5-DIAMINO-N-(AMINOIMINOMETHYL)-
6-CHLOROPYRAZINECARBOXAMIDE
A1F5L0.93
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.73
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
HPAHYPOXANTHINEA1PNR0.71
HPAHYPOXANTHINEA2EET0.71
HPAHYPOXANTHINEA2PUG0.71
HPAHYPOXANTHINEA1A9T0.71
HPAHYPOXANTHINEA1BDI0.71
HPAHYPOXANTHINEA1QQA0.71
HPAHYPOXANTHINEA1VFN0.71
HPAHYPOXANTHINEA1VPW0.71
HPAHYPOXANTHINEA2EEV0.71
HPAHYPOXANTHINEA1A9Q0.71
HPAHYPOXANTHINEA1A9R0.71
HPAHYPOXANTHINEA2EEU0.71
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.71
HPAHYPOXANTHINEA1JFT0.71
HPAHYPOXANTHINEA2EEW0.71
HPAHYPOXANTHINEA2PUD0.71
HPAHYPOXANTHINEA1QP70.71
HPAHYPOXANTHINEA,M1ZAY0.71
HPAHYPOXANTHINEA1JH90.71
HPAHYPOXANTHINEA2EES0.71
HPAHYPOXANTHINEA1JFS0.71
HPAHYPOXANTHINEA1QP00.71
HPAHYPOXANTHINEA1QPZ0.71
HPAHYPOXANTHINEA1U8D0.71
HPAHYPOXANTHINEA1QQB0.71
HPAHYPOXANTHINEA1BDH0.71
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.71
HPAHYPOXANTHINEA1QP40.71
HPAHYPOXANTHINEA,B,C3FNQ0.71
LUZpteridine-2,4(1H,3H)-dioneA,B,C,L,M,N3ETR0.71
ANG8-AMINOGUANINEA,C1M3Q0.73
ANG8-AMINOGUANINEA,E1LWV0.73
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.79
CFFCAFFEINEA,B1L5Q0.75
CFFCAFFEINEA,B2A3B0.75
CFFCAFFEINEA,B1L7X0.75
CFFCAFFEINEA1GFZ0.75
CFFCAFFEINEA,B3DDW0.75
CFFCAFFEINEA,B3DD10.75
CFFCAFFEINEA,B3DDS0.75
CFFCAFFEINEA1C8L0.75
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.79
XANXANTHINEA3GAO0.73
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.73
XANXANTHINEA,B,C,D,E,F1YR30.73
XANXANTHINEA2UZ90.73
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.73
XANXANTHINEA,B,C,D1A960.73
8IG8-IODO-GUANINEA,B,C1C3X0.71
37TTHEOBROMINEA2EFJ0.76