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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03025933

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C122-(1-AMINO-2-HYDROXYPROPYL)-4-(4-
HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-
IMIDAZOL-5-OLATE		A2FZU0.71
CX1N-[(benzyloxy)carbonyl]-L-histidyl-
N-methyl-L-phenylalanyl-L-tyrosine		B3C720.7
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5E0.7
GSRA1AF10.8
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol		A,B2QSE0.71
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
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE		A2ORO0.71
N2GA,P,T2W8K0.77
N2GA,P,T2W8L0.77
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1NDW0.72
TYAA3TS10.73
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL		A2HK50.71
CF22'-deoxy-5'-O-{[2-(7,8-dimethyl-
2,4-dioxo-3,4-dihydrobenzo[g]pteridin-
10(2H)-yl)ethyl]carbamoyl}guanosine		A2VKF0.74
I2C5'-O-[(S)-hydroxy{[2-hydroxy-3,5-
dimethyl-6-(2-oxoethyl)pyridin-
4-yl]oxy}phosphoryl]guanosine		A3F470.75
I2C5'-O-[(S)-hydroxy{[2-hydroxy-3,5-
dimethyl-6-(2-oxoethyl)pyridin-
4-yl]oxy}phosphoryl]guanosine		A3F460.75
AGNA1GNP0.74
NGDA,B2O3U0.71
FAAN5-(4-HYDROXYBENZYL)FLAVIN-ADENINE DINUCLEOTIDEA,B1AHU0.71
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5F0.7
DBG3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-
GUANYLATE ESTER		A1RVD0.71
DBG3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-
GUANYLATE ESTER		A1CLU0.71
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
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL		A2BDJ0.71
MGVP-FLUORO-7-BENZYL GUANINE MONOPHOSPHATEA,E2V8Y0.79
G4MA,B3B8X0.74
G4MA,B,C,D3DR40.74
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL		X2A0C0.74
CAGA1GNQ0.78
CAGA1PLJ0.78
CAGX2EVW0.78
CAGA1GNR0.78
CAGX2CL60.78
MGQ7-BENZYL GUANINE MONOPHOSPHATEA,E2V8X0.8
YMPO-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATEX,Y2DLC0.74
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE		A,B,C,D2AJ80.7
FEG5'-O-[(S)-{[2-(carboxymethyl)-6-
hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine		A3DAG0.74
FEG5'-O-[(S)-{[2-(carboxymethyl)-6-
hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine		A3DAF0.74
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A,B2PSJ0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A2F8P0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A1S360.71
BPG9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINEA,B1QHI0.76
8FGN-(5'-PHOSPHO-2'-DEOXYGUANOSIN-
8-YL)-2-ACETYLAMINOFLUORENE		A,C,D1X9M0.74
RC7{(2R)-4-(4-HYDROXYBENZYL)-2-[2-
(1H-IMIDAZOL-4-YL)ETHYL]-5-OXO-
2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETALDEHYDE		A,B,C,D2GW40.74
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE		A2ORP0.71
GSSA1AP10.8
4CA4-HYDROXYBENZYL COENZYME AA1LO80.71
4CA4-HYDROXYBENZYL COENZYME AA1Q4U0.71
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1TL70.76
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1U0H0.76
1PMmethyl (3S)-3-{2-[(1,3-benzodioxol-
5-ylmethyl)amino]-2-oxoethyl}-4-
[2-(1H-imidazol-1-yl)pyrimidin-
4-yl]piperazine-1-carboxylate		A1DD70.7
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE		A,B,C,D2BTJ0.72
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE		A,B,C,D2VVJ0.72
FRC1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-
1H-IMIDAZONE-4-CARBOXAMIDE		A1V7A0.72
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B2ALY0.75
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B1VBM0.75
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B1VBN0.75
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B2PID0.75