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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03288228

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE		A,P,T2JEF0.73
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE		A,P,T2JEG0.73
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE		A,T2JEI0.73
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE		A,P,T2JEJ0.73
PUYPUROMYCINA,B2DPT0.73
PUYPUROMYCIN1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1Q7Y0.73
JMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
[(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-
7-yl)methyl]pyrrolidine-3,4-diol		A,B3EPW0.72
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5E0.77
NHV(5R,6R,7S,8R)-6,7,8-trihydroxy-
5-(hydroxymethyl)-2-[(phenylamino)methyl]-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium		A,B2VOT0.71
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B2ALY0.71
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B1VBM0.71
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B1VBN0.71
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B2PID0.71
223(3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-
D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-
3-OL		A,B,C,D,E,F2ISC0.71
2071-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINEA1H0W0.7
TYAA3TS10.73
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A,B2IY50.74
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A1B7Y0.74
NBSA1KSW0.73
3FD4-[[(2R,3S,4R,5R)-5-[6-amino-8-
[(3,4-dichlorophenyl)methylamino]purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile		A3FZL0.72
MNT2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-
5'-DIPHOSPHATE		A1LVK0.7
SAVN~4~-(3-methyl-1H-indazol-6-yl)-
N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine		A3CJF0.71
3BK(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-
dichlorophenyl)methylamino]purin-
9-yl]-5-(hydroxymethyl)oxolane-
3,4-diol		A3FZK0.7
PAD5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-
DINUCLEOTIDE		A1A720.74
PAD5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-
DINUCLEOTIDE		A,B1ADC0.74
43P4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-
2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE		A1YC40.71
CND5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDEA,B1ADB0.71
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A3CMQ0.7
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A,B1JJC0.7
NDA3-AMINOMETHYL-PYRIDINIUM-ADENINE-
DINUCLEOTIDE		A,B,C,D1EBU0.7
PPUPUROMYCIN-5'-MONOPHOSPHATE51NJP0.71
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z		1VQN0.71
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQO0.71
PPUPUROMYCIN-5'-MONOPHOSPHATE0,51NJM0.71
PPUPUROMYCIN-5'-MONOPHOSPHATE51NJO0.71
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQL0.71
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,2,3,4,9,
A,B,C,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQM0.71
PPUPUROMYCIN-5'-MONOPHOSPHATE1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1Q820.71
PPUPUROMYCIN-5'-MONOPHOSPHATE0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.71
PPUPUROMYCIN-5'-MONOPHOSPHATEB1FG00.71
PPUPUROMYCIN-5'-MONOPHOSPHATE1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1Q810.71
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,F,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		3CD60.71
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQP0.71
FM12-HYDROXYMETHYL-5-(7-METHYLAMINO-
3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-
TETRAHYDRO-FURAN-3,4-DIOL		A,B,C,D,E,F1K9S0.95
ZZBA2WFG0.73
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A2OC90.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A1B8O0.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A,B,C1G2O0.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A,B,C,D,E,F1NW40.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A1RT90.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A,B2FF10.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A,B2FF20.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A2OC40.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		E2Q7O0.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A1RR60.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A,B3B9G0.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		E1PF70.75
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A2ON60.75
FMPFORMYCIN-5'-MONOPHOSPHATEA1J1S0.91
FMPFORMYCIN-5'-MONOPHOSPHATEA,B,C,D,E,F1T8S0.91
FMPFORMYCIN-5'-MONOPHOSPHATEA1FMP0.91
FMPFORMYCIN-5'-MONOPHOSPHATEA1AHB0.91
FMPFORMYCIN-5'-MONOPHOSPHATEA,B1PAG0.91
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5F0.77
UA23,4-PYRROLIDINEDIOL,2-(4-AMINO-
5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-
5-(HYDROXYMETHYL)-2S,3S,4R,5R		A,B,C2I4T0.77
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL		A1X390.71
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL		A,B2J7C0.71
ANZA2V0C0.7
ANZA,B,D,F2V0G0.7
KIMN~4~-methyl-N~4~-(3-methyl-1H-indazol-
6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine		A3CJG0.71
1DA1-DEAZA-ADENOSINEA1ADD0.74
FMCFORMYCINA,B2QTT0.94
FMCFORMYCINA1MRH0.94
FMCFORMYCINA1SD10.94
FMCFORMYCINA1MRK0.94
FMCFORMYCINA,B1NC30.94
FMCFORMYCINA1Z360.94
FMCFORMYCINA3BL60.94
FMCFORMYCINA1IFU0.94
IMK2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-
1-BENZIMIDAZOLE		A1XKX0.73
3GO4-[[(2R,3S,4R,5R)-5-[6-amino-8-
(quinolin-6-ylmethylamino)purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile		A3FZM0.72
FM22-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-
D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL		A,B,C,D,E,F1K9S0.94
ONAA,C2GVZ0.72
AD33-DEAZA-ADENOSINEA,B1KIE0.74
AD33-DEAZA-ADENOSINEA,B,C,D2ZIZ0.74
AD33-DEAZA-ADENOSINEA,B1R4F0.74
AD33-DEAZA-ADENOSINEA,B1HP00.74