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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02169001

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.79
GUNGUANINEA,B1IT70.7
GUNGUANINEA,B,C,D3BP10.7
GUNGUANINEA1XT40.7
GUNGUANINEA1ULB0.7
GUNGUANINEA,B2I9U0.7
GUNGUANINEA2JH90.7
GUNGUANINEE1V2H0.7
GUNGUANINEA2JHA0.7
GUNGUANINEA,B,C,D1A950.7
GUNGUANINEA,B,C1XE70.7
GUNGUANINEA,B,C1YQQ0.7
GUNGUANINEA,B1D6A0.7
GUNGUANINEA1WET0.7
GUNGUANINEA2PUF0.7
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.7
GUNGUANINEA,B,C1VMK0.7
GUNGUANINEA,B,C1YQU0.7
GUNGUANINEA2JHC0.7
GUNGUANINEA2JH80.7
GUNGUANINEA2JHP0.7
GUNGUANINEA2PUC0.7
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.7
GUNGUANINEA,B,C,D,E,F2O740.7
GUNGUANINEA2PWU0.7
GUNGUANINEA2OOD0.7
GUNGUANINEA2POT0.7
CFFCAFFEINEA,B1L5Q0.82
CFFCAFFEINEA,B2A3B0.82
CFFCAFFEINEA,B1L7X0.82
CFFCAFFEINEA1GFZ0.82
CFFCAFFEINEA,B3DDW0.82
CFFCAFFEINEA,B3DD10.82
CFFCAFFEINEA,B3DDS0.82
CFFCAFFEINEA1C8L0.82
37TTHEOBROMINEA2EFJ0.84
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE
A,C,E,G2EG50.78
01G12R750.71
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,E1T390.75
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
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.72
G383'-AMINO-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A,B,C,D,E,F363D0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E1FCW0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F1OB50.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1JGQ0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB1ML50.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEX,Y2DLC0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F1TTT0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B1F7U0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA2Z9Q0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1GIX0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1WTS0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B1OB20.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATE2,Y2QNH0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B3DEG0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEC,D1MJ10.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB1F7V0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1WTT0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1YFG0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1TRA0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,C,E,F486D0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEE,F1SZ10.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1TN20.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1EVV0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATE0,Y,Z2OW80.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1JGP0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA4TNA0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEV,Y,Z3FIC0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA6TNA0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1EHZ0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1FIR0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA4TRA0.71
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1JGO0.71
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.81
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
A2PLM0.7
2ND2'-DEOXYINOSINEA1Z390.72
MG77-METHYLGUANOSINEA1EQA0.73
MG77-METHYLGUANOSINEA4DCG0.73
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
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.86
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.8
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A,B1AC90.72
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A2F3T0.72
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.72
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,D2B1G0.73
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.79
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D2YWC0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BVJ0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CU00.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CZF0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2VXO0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BPW0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1QK50.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEW0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1P4R0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEI0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1LOL0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PL00.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1M9N0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PKX0.73
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.75
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.79
NDM7,9-DIMETHYLGUANINEA1JSZ0.73
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
E1V3Q0.73
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.81
2EGA,B,C3EPG0.71
2EGA,B2HMD0.71
2EGA,B2HMR0.71
2EGA,B,C3EPI0.71
GMPGUANOSINEA2GBH0.72
GMPGUANOSINEA1IH70.72
GMPGUANOSINEA2QVN0.72
GMPGUANOSINEA,B1WAF0.72
GMPGUANOSINEA,B,C,D,E,F1JE10.72
GMPGUANOSINEA3DMH0.72
GMPGUANOSINEE1RFG0.72
GMPGUANOSINEA2FQX0.72
GMPGUANOSINEA3CFO0.72
GMPGUANOSINEA,B2AN90.72
GMPGUANOSINEA,B,C,D,E,F1ODJ0.72
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.77
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.71
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.71
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
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE
A2JJA0.77
TEPTHEOPHYLLINEA1EHT0.81
TEPTHEOPHYLLINEA,B2A3A0.81
TEPTHEOPHYLLINEA1O150.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.83
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.78
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.78
HPAHYPOXANTHINEA1PNR0.7
HPAHYPOXANTHINEA2EET0.7
HPAHYPOXANTHINEA2PUG0.7
HPAHYPOXANTHINEA1A9T0.7
HPAHYPOXANTHINEA1BDI0.7
HPAHYPOXANTHINEA1QQA0.7
HPAHYPOXANTHINEA1VFN0.7
HPAHYPOXANTHINEA1VPW0.7
HPAHYPOXANTHINEA2EEV0.7
HPAHYPOXANTHINEA1A9Q0.7
HPAHYPOXANTHINEA1A9R0.7
HPAHYPOXANTHINEA2EEU0.7
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.7
HPAHYPOXANTHINEA1JFT0.7
HPAHYPOXANTHINEA2EEW0.7
HPAHYPOXANTHINEA2PUD0.7
HPAHYPOXANTHINEA1QP70.7
HPAHYPOXANTHINEA,M1ZAY0.7
HPAHYPOXANTHINEA1JH90.7
HPAHYPOXANTHINEA2EES0.7
HPAHYPOXANTHINEA1JFS0.7
HPAHYPOXANTHINEA1QP00.7
HPAHYPOXANTHINEA1QPZ0.7
HPAHYPOXANTHINEA1U8D0.7
HPAHYPOXANTHINEA1QQB0.7
HPAHYPOXANTHINEA1BDH0.7
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.7
HPAHYPOXANTHINEA1QP40.7
HPAHYPOXANTHINEA,B,C3FNQ0.7
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.72
6HG1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
A481D0.71
6HG1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
A,B,C,D,E,G2BJ60.71
6HG1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
B1EJZ0.71
6HG1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
A,B1EC40.71
6HG1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
A1D7Z0.71
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.73
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
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