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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02412009

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.72
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
TEPTHEOPHYLLINEA1EHT0.73
TEPTHEOPHYLLINEA,B2A3A0.73
TEPTHEOPHYLLINEA1O150.73
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.7
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.71
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.74
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.81
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.81
BRG8-BROMOGUANINEA,E1LWW0.82
ANG8-AMINOGUANINEA,C1M3Q0.84
ANG8-AMINOGUANINEA,E1LWV0.84
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.76
XANXANTHINEA3GAO0.72
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.72
XANXANTHINEA,B,C,D,E,F1YR30.72
XANXANTHINEA2UZ90.72
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.72
XANXANTHINEA,B,C,D1A960.72
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.76
8IG8-IODO-GUANINEA,B,C1C3X0.83
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
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.7
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.7
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