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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02040788

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.77
CFFCAFFEINEA,B1L5Q0.8
CFFCAFFEINEA,B2A3B0.8
CFFCAFFEINEA,B1L7X0.8
CFFCAFFEINEA1GFZ0.8
CFFCAFFEINEA,B3DDW0.8
CFFCAFFEINEA,B3DD10.8
CFFCAFFEINEA,B3DDS0.8
CFFCAFFEINEA1C8L0.8
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU30.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU00.71
MG77-METHYLGUANOSINEA1EQA0.72
MG77-METHYLGUANOSINEA4DCG0.72
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,E1T390.74
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.81
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.79
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.83
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.74
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.71
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.71
2ND2'-DEOXYINOSINEA1Z390.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.79
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.71
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.73
XANXANTHINEA3GAO0.76
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.76
XANXANTHINEA,B,C,D,E,F1YR30.76
XANXANTHINEA2UZ90.76
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.76
XANXANTHINEA,B,C,D1A960.76
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.79
GMPGUANOSINEA2GBH0.7
GMPGUANOSINEA1IH70.7
GMPGUANOSINEA2QVN0.7
GMPGUANOSINEA,B1WAF0.7
GMPGUANOSINEA,B,C,D,E,F1JE10.7
GMPGUANOSINEA3DMH0.7
GMPGUANOSINEE1RFG0.7
GMPGUANOSINEA2FQX0.7
GMPGUANOSINEA3CFO0.7
GMPGUANOSINEA,B2AN90.7
GMPGUANOSINEA,B,C,D,E,F1ODJ0.7
SSSN-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-
D-ARABINOFURANOSYL)-1H-IMIDAZOL-
4-YL]CARBONYL}-L-ASPARTIC ACID		A2CNV0.7
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.87
37TTHEOBROMINEA2EFJ0.82
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.73
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE		A,C,E,G2EG50.76
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.79
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.8
SIB(2S)-2-AMINO-4-({[(2S,3S,4R,5R)-
3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-
9H-PURIN-9-YL)TETRAHYDROFURAN-2-
YL]METHYL}THIO)BUTANOIC ACID		A2PLM0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D2YWC0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BVJ0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CU00.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CZF0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2VXO0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BPW0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1QK50.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEW0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1P4R0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEI0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1LOL0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PL00.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1M9N0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PKX0.72
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE		E1V3Q0.7
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.72
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.72
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,D2B1G0.72
TEPTHEOPHYLLINEA1EHT0.79
TEPTHEOPHYLLINEA,B2A3A0.79
TEPTHEOPHYLLINEA1O150.79