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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03571191

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.75
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,H2ATL0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,H,J2AU00.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P2OZS0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P1TK50.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T2OZM0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,P1T050.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1TK00.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B1QSS0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,E3GIM0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HVH0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H2ASJ0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1ZYQ0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HHW0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E2HVI0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J2ASD0.71
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.77
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.79
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.78
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU30.79
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU00.79
G313'-METHYL-2',3'-DEOXY-GUANOSINE-
5'-MONOPHOSPHATE		A1D260.71
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE		A,B,C,D2AJ80.71
63H(6R)-3-(2-deoxy-5-O-phosphono-beta-
D-erythro-pentofuranosyl)-6-hydroxy-
5,6,7,8-tetrahydropyrimido[1,2-
a]purin-10(3H)-one		A2KDA0.7
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.7
13A7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-
2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-
2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4S-ONE		A,B,C,D2B1G0.71
HPAHYPOXANTHINEA1PNR0.76
HPAHYPOXANTHINEA2EET0.76
HPAHYPOXANTHINEA2PUG0.76
HPAHYPOXANTHINEA1A9T0.76
HPAHYPOXANTHINEA1BDI0.76
HPAHYPOXANTHINEA1QQA0.76
HPAHYPOXANTHINEA1VFN0.76
HPAHYPOXANTHINEA1VPW0.76
HPAHYPOXANTHINEA2EEV0.76
HPAHYPOXANTHINEA1A9Q0.76
HPAHYPOXANTHINEA1A9R0.76
HPAHYPOXANTHINEA2EEU0.76
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W550.76
HPAHYPOXANTHINEA1JFT0.76
HPAHYPOXANTHINEA2EEW0.76
HPAHYPOXANTHINEA2PUD0.76
HPAHYPOXANTHINEA1QP70.76
HPAHYPOXANTHINEA,M1ZAY0.76
HPAHYPOXANTHINEA1JH90.76
HPAHYPOXANTHINEA2EES0.76
HPAHYPOXANTHINEA1JFS0.76
HPAHYPOXANTHINEA1QP00.76
HPAHYPOXANTHINEA1QPZ0.76
HPAHYPOXANTHINEA1U8D0.76
HPAHYPOXANTHINEA1QQB0.76
HPAHYPOXANTHINEA1BDH0.76
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W3R0.76
HPAHYPOXANTHINEA1QP40.76
HPAHYPOXANTHINEA,B,C3FNQ0.76
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.76
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D2YWC0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BVJ0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CU00.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CZF0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2VXO0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BPW0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1QK50.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEW0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1P4R0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEI0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1LOL0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PL00.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1M9N0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PKX0.71
2ND2'-DEOXYINOSINEA1Z390.72
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A277D0.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A427D0.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A1D330.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A1QDA0.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A,B381D0.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A278D0.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A,B380D0.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.89
37TTHEOBROMINEA2EFJ0.91
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.76
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.73
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.86
XANXANTHINEA3GAO0.84
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.84
XANXANTHINEA,B,C,D,E,F1YR30.84
XANXANTHINEA2UZ90.84
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.84
XANXANTHINEA,B,C,D1A960.84
CFFCAFFEINEA,B1L5Q0.89
CFFCAFFEINEA,B2A3B0.89
CFFCAFFEINEA,B1L7X0.89
CFFCAFFEINEA1GFZ0.89
CFFCAFFEINEA,B3DDW0.89
CFFCAFFEINEA,B3DD10.89
CFFCAFFEINEA,B3DDS0.89
CFFCAFFEINEA1C8L0.89
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.81
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.71
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.92
GUNGUANINEA,B1IT70.76
GUNGUANINEA,B,C,D3BP10.76
GUNGUANINEA1XT40.76
GUNGUANINEA1ULB0.76
GUNGUANINEA,B2I9U0.76
GUNGUANINEA2JH90.76
GUNGUANINEE1V2H0.76
GUNGUANINEA2JHA0.76
GUNGUANINEA,B,C,D1A950.76
GUNGUANINEA,B,C1XE70.76
GUNGUANINEA,B,C1YQQ0.76
GUNGUANINEA,B1D6A0.76
GUNGUANINEA1WET0.76
GUNGUANINEA2PUF0.76
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P		1SQL0.76
GUNGUANINEA,B,C1VMK0.76
GUNGUANINEA,B,C1YQU0.76
GUNGUANINEA2JHC0.76
GUNGUANINEA2JH80.76
GUNGUANINEA2JHP0.76
GUNGUANINEA2PUC0.76
GUNGUANINEA,B,C,D,E,F,
G,H		1XY30.76
GUNGUANINEA,B,C,D,E,F2O740.76
GUNGUANINEA2PWU0.76
GUNGUANINEA2OOD0.76
GUNGUANINEA2POT0.76
MG77-METHYLGUANOSINEA1EQA0.71
MG77-METHYLGUANOSINEA4DCG0.71
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE		E1V3Q0.73
2EGA,B,C3EPG0.71
2EGA,B2HMD0.71
2EGA,B2HMR0.71
2EGA,B,C3EPI0.71
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE		A,C,E,G2EG50.76
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.82
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.79
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.83
G383'-AMINO-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A,B,C,D,E,F363D0.71
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.72
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.7
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE		A2Z1W0.72
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE		A1N2V0.72
TEPTHEOPHYLLINEA1EHT0.88
TEPTHEOPHYLLINEA,B2A3A0.88
TEPTHEOPHYLLINEA1O150.88
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,P3BQ10.71
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,T1JXL0.71
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,B1QSS0.71
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,P1T7P0.71
XGU2-AMINO-9-(2,3-DIDEOXY-6-O-PHOSPHONO-
BETA-D-ERYTHRO-HEXOPYRANOSYL)-1,9-
DIHYDRO-6H-PURIN-6-ONE		A,B2H9S0.71
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.79
LUZpteridine-2,4(1H,3H)-dioneA,B,C,L,M,N3ETR0.7
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.75
E1XPHOSPHORIC ACID MONO-[5-(1-ETHYL-
2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-
9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-
2-YLMETHYL]ESTER		C,E1T390.76
63G(6S)-3-(2-deoxy-5-O-phosphono-beta-
D-erythro-pentofuranosyl)-6-hydroxy-
5,6,7,8-tetrahydropyrimido[1,2-
a]purin-10(3H)-one		A2KD90.7