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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02388025

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
AMR3,5-DIAMINO-N-(AMINOIMINOMETHYL)-
6-CHLOROPYRAZINECARBOXAMIDE
A1F5L0.75
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.71
8IG8-IODO-GUANINEA,B,C1C3X0.93
HPAHYPOXANTHINEA1PNR0.88
HPAHYPOXANTHINEA2EET0.88
HPAHYPOXANTHINEA2PUG0.88
HPAHYPOXANTHINEA1A9T0.88
HPAHYPOXANTHINEA1BDI0.88
HPAHYPOXANTHINEA1QQA0.88
HPAHYPOXANTHINEA1VFN0.88
HPAHYPOXANTHINEA1VPW0.88
HPAHYPOXANTHINEA2EEV0.88
HPAHYPOXANTHINEA1A9Q0.88
HPAHYPOXANTHINEA1A9R0.88
HPAHYPOXANTHINEA2EEU0.88
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.88
HPAHYPOXANTHINEA1JFT0.88
HPAHYPOXANTHINEA2EEW0.88
HPAHYPOXANTHINEA2PUD0.88
HPAHYPOXANTHINEA1QP70.88
HPAHYPOXANTHINEA,M1ZAY0.88
HPAHYPOXANTHINEA1JH90.88
HPAHYPOXANTHINEA2EES0.88
HPAHYPOXANTHINEA1JFS0.88
HPAHYPOXANTHINEA1QP00.88
HPAHYPOXANTHINEA1QPZ0.88
HPAHYPOXANTHINEA1U8D0.88
HPAHYPOXANTHINEA1QQB0.88
HPAHYPOXANTHINEA1BDH0.88
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.88
HPAHYPOXANTHINEA1QP40.88
HPAHYPOXANTHINEA,B,C3FNQ0.88
XANXANTHINEA3GAO0.79
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.79
XANXANTHINEA,B,C,D,E,F1YR30.79
XANXANTHINEA2UZ90.79
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.79
XANXANTHINEA,B,C,D1A960.79
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.71
37TTHEOBROMINEA2EFJ0.72
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
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.79
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.73
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.73
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.82
GUNGUANINEA,B1IT70.88
GUNGUANINEA,B,C,D3BP10.88
GUNGUANINEA1XT40.88
GUNGUANINEA1ULB0.88
GUNGUANINEA,B2I9U0.88
GUNGUANINEA2JH90.88
GUNGUANINEE1V2H0.88
GUNGUANINEA2JHA0.88
GUNGUANINEA,B,C,D1A950.88
GUNGUANINEA,B,C1XE70.88
GUNGUANINEA,B,C1YQQ0.88
GUNGUANINEA,B1D6A0.88
GUNGUANINEA1WET0.88
GUNGUANINEA2PUF0.88
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.88
GUNGUANINEA,B,C1VMK0.88
GUNGUANINEA,B,C1YQU0.88
GUNGUANINEA2JHC0.88
GUNGUANINEA2JH80.88
GUNGUANINEA2JHP0.88
GUNGUANINEA2PUC0.88
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.88
GUNGUANINEA,B,C,D,E,F2O740.88
GUNGUANINEA2PWU0.88
GUNGUANINEA2OOD0.88
GUNGUANINEA2POT0.88
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.82
ANG8-AMINOGUANINEA,C1M3Q0.95
ANG8-AMINOGUANINEA,E1LWV0.95
TEPTHEOPHYLLINEA1EHT0.76
TEPTHEOPHYLLINEA,B2A3A0.76
TEPTHEOPHYLLINEA1O150.76
BRG8-BROMOGUANINEA,E1LWW0.92