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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02255570

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
37TTHEOBROMINEA2EFJ0.85
BRG8-BROMOGUANINEA,E1LWW0.87
TEPTHEOPHYLLINEA1EHT0.89
TEPTHEOPHYLLINEA,B2A3A0.89
TEPTHEOPHYLLINEA1O150.89
CFFCAFFEINEA,B1L5Q0.82
CFFCAFFEINEA,B2A3B0.82
CFFCAFFEINEA,B1L7X0.82
CFFCAFFEINEA1GFZ0.82
CFFCAFFEINEA,B3DDW0.82
CFFCAFFEINEA,B3DD10.82
CFFCAFFEINEA,B3DDS0.82
CFFCAFFEINEA1C8L0.82
HPAHYPOXANTHINEA1PNR0.81
HPAHYPOXANTHINEA2EET0.81
HPAHYPOXANTHINEA2PUG0.81
HPAHYPOXANTHINEA1A9T0.81
HPAHYPOXANTHINEA1BDI0.81
HPAHYPOXANTHINEA1QQA0.81
HPAHYPOXANTHINEA1VFN0.81
HPAHYPOXANTHINEA1VPW0.81
HPAHYPOXANTHINEA2EEV0.81
HPAHYPOXANTHINEA1A9Q0.81
HPAHYPOXANTHINEA1A9R0.81
HPAHYPOXANTHINEA2EEU0.81
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.81
HPAHYPOXANTHINEA1JFT0.81
HPAHYPOXANTHINEA2EEW0.81
HPAHYPOXANTHINEA2PUD0.81
HPAHYPOXANTHINEA1QP70.81
HPAHYPOXANTHINEA,M1ZAY0.81
HPAHYPOXANTHINEA1JH90.81
HPAHYPOXANTHINEA2EES0.81
HPAHYPOXANTHINEA1JFS0.81
HPAHYPOXANTHINEA1QP00.81
HPAHYPOXANTHINEA1QPZ0.81
HPAHYPOXANTHINEA1U8D0.81
HPAHYPOXANTHINEA1QQB0.81
HPAHYPOXANTHINEA1BDH0.81
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.81
HPAHYPOXANTHINEA1QP40.81
HPAHYPOXANTHINEA,B,C3FNQ0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.84
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.93
AMR3,5-DIAMINO-N-(AMINOIMINOMETHYL)-
6-CHLOROPYRAZINECARBOXAMIDE
A1F5L0.77
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.92
AZA8-AZAXANTHINEA3BK80.77
AZA8-AZAXANTHINEA2ICQ0.77
AZA8-AZAXANTHINEA2PES0.77
AZA8-AZAXANTHINEA2IC00.77
AZA8-AZAXANTHINEA,B,C,D,E,F,
G,H
2YZD0.77
AZA8-AZAXANTHINEA,B,C,D1J2G0.77
AZA8-AZAXANTHINEA,B,D,E,F,G,H1VAY0.77
AZA8-AZAXANTHINEA2IBA0.77
AZA8-AZAXANTHINEA2FUB0.77
AZA8-AZAXANTHINEA2ZKB0.77
AZA8-AZAXANTHINEA1R510.77
AZA8-AZAXANTHINEA3CKS0.77
AZA8-AZAXANTHINEA,B2H0F0.77
AZA8-AZAXANTHINEA3CKU0.77
AZA8-AZAXANTHINEA2ZKA0.77
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.86
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.86
ANG8-AMINOGUANINEA,C1M3Q0.89
ANG8-AMINOGUANINEA,E1LWV0.89
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.73
XANXANTHINEA3GAO0.92
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.92
XANXANTHINEA,B,C,D,E,F1YR30.92
XANXANTHINEA2UZ90.92
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.92
XANXANTHINEA,B,C,D1A960.92
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.75
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.75
8IG8-IODO-GUANINEA,B,C1C3X0.87
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.82
GUNGUANINEA,B1IT70.83
GUNGUANINEA,B,C,D3BP10.83
GUNGUANINEA1XT40.83
GUNGUANINEA1ULB0.83
GUNGUANINEA,B2I9U0.83
GUNGUANINEA2JH90.83
GUNGUANINEE1V2H0.83
GUNGUANINEA2JHA0.83
GUNGUANINEA,B,C,D1A950.83
GUNGUANINEA,B,C1XE70.83
GUNGUANINEA,B,C1YQQ0.83
GUNGUANINEA,B1D6A0.83
GUNGUANINEA1WET0.83
GUNGUANINEA2PUF0.83
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.83
GUNGUANINEA,B,C1VMK0.83
GUNGUANINEA,B,C1YQU0.83
GUNGUANINEA2JHC0.83
GUNGUANINEA2JH80.83
GUNGUANINEA2JHP0.83
GUNGUANINEA2PUC0.83
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.83
GUNGUANINEA,B,C,D,E,F2O740.83
GUNGUANINEA2PWU0.83
GUNGUANINEA2OOD0.83
GUNGUANINEA2POT0.83
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.7
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.7
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.73