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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02039056

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.86
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.86
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
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.79
37TTHEOBROMINEA2EFJ0.77
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
A2UY30.81
GUNGUANINEA,B1IT70.71
GUNGUANINEA,B,C,D3BP10.71
GUNGUANINEA1XT40.71
GUNGUANINEA1ULB0.71
GUNGUANINEA,B2I9U0.71
GUNGUANINEA2JH90.71
GUNGUANINEE1V2H0.71
GUNGUANINEA2JHA0.71
GUNGUANINEA,B,C,D1A950.71
GUNGUANINEA,B,C1XE70.71
GUNGUANINEA,B,C1YQQ0.71
GUNGUANINEA,B1D6A0.71
GUNGUANINEA1WET0.71
GUNGUANINEA2PUF0.71
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.71
GUNGUANINEA,B,C1VMK0.71
GUNGUANINEA,B,C1YQU0.71
GUNGUANINEA2JHC0.71
GUNGUANINEA2JH80.71
GUNGUANINEA2JHP0.71
GUNGUANINEA2PUC0.71
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.71
GUNGUANINEA,B,C,D,E,F2O740.71
GUNGUANINEA2PWU0.71
GUNGUANINEA2OOD0.71
GUNGUANINEA2POT0.71
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.77
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
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.83
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.73
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.73
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.77
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.77
TEPTHEOPHYLLINEA1EHT0.81
TEPTHEOPHYLLINEA,B2A3A0.81
TEPTHEOPHYLLINEA1O150.81
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.74
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE
A1M510.7
XANXANTHINEA3GAO0.78
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.78
XANXANTHINEA,B,C,D,E,F1YR30.78
XANXANTHINEA2UZ90.78
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.78
XANXANTHINEA,B,C,D1A960.78