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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02388701

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.91
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.71
XANXANTHINEA3GAO0.9
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.9
XANXANTHINEA,B,C,D,E,F1YR30.9
XANXANTHINEA2UZ90.9
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.9
XANXANTHINEA,B,C,D1A960.9
TEPTHEOPHYLLINEA1EHT0.86
TEPTHEOPHYLLINEA,B2A3A0.86
TEPTHEOPHYLLINEA1O150.86
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.93
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.71
AMR3,5-DIAMINO-N-(AMINOIMINOMETHYL)-
6-CHLOROPYRAZINECARBOXAMIDE
A1F5L0.78
8IG8-IODO-GUANINEA,B,C1C3X0.85
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
CFFCAFFEINEA,B1L5Q0.79
CFFCAFFEINEA,B2A3B0.79
CFFCAFFEINEA,B1L7X0.79
CFFCAFFEINEA1GFZ0.79
CFFCAFFEINEA,B3DDW0.79
CFFCAFFEINEA,B3DD10.79
CFFCAFFEINEA,B3DDS0.79
CFFCAFFEINEA1C8L0.79
HPAHYPOXANTHINEA1PNR0.79
HPAHYPOXANTHINEA2EET0.79
HPAHYPOXANTHINEA2PUG0.79
HPAHYPOXANTHINEA1A9T0.79
HPAHYPOXANTHINEA1BDI0.79
HPAHYPOXANTHINEA1QQA0.79
HPAHYPOXANTHINEA1VFN0.79
HPAHYPOXANTHINEA1VPW0.79
HPAHYPOXANTHINEA2EEV0.79
HPAHYPOXANTHINEA1A9Q0.79
HPAHYPOXANTHINEA1A9R0.79
HPAHYPOXANTHINEA2EEU0.79
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.79
HPAHYPOXANTHINEA1JFT0.79
HPAHYPOXANTHINEA2EEW0.79
HPAHYPOXANTHINEA2PUD0.79
HPAHYPOXANTHINEA1QP70.79
HPAHYPOXANTHINEA,M1ZAY0.79
HPAHYPOXANTHINEA1JH90.79
HPAHYPOXANTHINEA2EES0.79
HPAHYPOXANTHINEA1JFS0.79
HPAHYPOXANTHINEA1QP00.79
HPAHYPOXANTHINEA1QPZ0.79
HPAHYPOXANTHINEA1U8D0.79
HPAHYPOXANTHINEA1QQB0.79
HPAHYPOXANTHINEA1BDH0.79
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.79
HPAHYPOXANTHINEA1QP40.79
HPAHYPOXANTHINEA,B,C3FNQ0.79
37TTHEOBROMINEA2EFJ0.83
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.73
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.82
ANG8-AMINOGUANINEA,C1M3Q0.86
ANG8-AMINOGUANINEA,E1LWV0.86
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.79
BRG8-BROMOGUANINEA,E1LWW0.84
GUNGUANINEA,B1IT70.8
GUNGUANINEA,B,C,D3BP10.8
GUNGUANINEA1XT40.8
GUNGUANINEA1ULB0.8
GUNGUANINEA,B2I9U0.8
GUNGUANINEA2JH90.8
GUNGUANINEE1V2H0.8
GUNGUANINEA2JHA0.8
GUNGUANINEA,B,C,D1A950.8
GUNGUANINEA,B,C1XE70.8
GUNGUANINEA,B,C1YQQ0.8
GUNGUANINEA,B1D6A0.8
GUNGUANINEA1WET0.8
GUNGUANINEA2PUF0.8
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.8
GUNGUANINEA,B,C1VMK0.8
GUNGUANINEA,B,C1YQU0.8
GUNGUANINEA2JHC0.8
GUNGUANINEA2JH80.8
GUNGUANINEA2JHP0.8
GUNGUANINEA2PUC0.8
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.8
GUNGUANINEA,B,C,D,E,F2O740.8
GUNGUANINEA2PWU0.8
GUNGUANINEA2OOD0.8
GUNGUANINEA2POT0.8
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.84
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.84