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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00518162

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.77
37TTHEOBROMINEA2EFJ0.75
HPAHYPOXANTHINEA1PNR0.8
HPAHYPOXANTHINEA2EET0.8
HPAHYPOXANTHINEA2PUG0.8
HPAHYPOXANTHINEA1A9T0.8
HPAHYPOXANTHINEA1BDI0.8
HPAHYPOXANTHINEA1QQA0.8
HPAHYPOXANTHINEA1VFN0.8
HPAHYPOXANTHINEA1VPW0.8
HPAHYPOXANTHINEA2EEV0.8
HPAHYPOXANTHINEA1A9Q0.8
HPAHYPOXANTHINEA1A9R0.8
HPAHYPOXANTHINEA2EEU0.8
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.8
HPAHYPOXANTHINEA1JFT0.8
HPAHYPOXANTHINEA2EEW0.8
HPAHYPOXANTHINEA2PUD0.8
HPAHYPOXANTHINEA1QP70.8
HPAHYPOXANTHINEA,M1ZAY0.8
HPAHYPOXANTHINEA1JH90.8
HPAHYPOXANTHINEA2EES0.8
HPAHYPOXANTHINEA1JFS0.8
HPAHYPOXANTHINEA1QP00.8
HPAHYPOXANTHINEA1QPZ0.8
HPAHYPOXANTHINEA1U8D0.8
HPAHYPOXANTHINEA1QQB0.8
HPAHYPOXANTHINEA1BDH0.8
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.8
HPAHYPOXANTHINEA1QP40.8
HPAHYPOXANTHINEA,B,C3FNQ0.8
AMR3,5-DIAMINO-N-(AMINOIMINOMETHYL)-
6-CHLOROPYRAZINECARBOXAMIDE
A1F5L0.74
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.86
TEPTHEOPHYLLINEA1EHT0.78
TEPTHEOPHYLLINEA,B2A3A0.78
TEPTHEOPHYLLINEA1O150.78
CFFCAFFEINEA,B1L5Q0.71
CFFCAFFEINEA,B2A3B0.71
CFFCAFFEINEA,B1L7X0.71
CFFCAFFEINEA1GFZ0.71
CFFCAFFEINEA,B3DDW0.71
CFFCAFFEINEA,B3DD10.71
CFFCAFFEINEA,B3DDS0.71
CFFCAFFEINEA1C8L0.71
BRG8-BROMOGUANINEA,E1LWW0.82
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.78
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.78
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.79
ANG8-AMINOGUANINEA,C1M3Q0.84
ANG8-AMINOGUANINEA,E1LWV0.84
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.7
8IG8-IODO-GUANINEA,B,C1C3X0.83
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.82
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.78
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.78
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
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