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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00458139

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid
A2VKG0.72
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.71
RBFRIBOFLAVINEB,D,F,H2FL50.7
RBFRIBOFLAVINEA2CC80.7
RBFRIBOFLAVINEA,B1PKV0.7
RBFRIBOFLAVINEA,B1T6Z0.7
RBFRIBOFLAVINEA2VX90.7
RBFRIBOFLAVINEA,B,C,D,E1KYV0.7
RBFRIBOFLAVINEA1MOG0.7
RBFRIBOFLAVINEA,B,C,D,E,F,
G,H,I,J,K,L
2VXA0.7
RBFRIBOFLAVINEA,B1L5R0.7
RBFRIBOFLAVINEA,B1HZE0.7
RBFRIBOFLAVINEA,B,C,D,E2A580.7
RBFRIBOFLAVINEA,B1BU50.7
RBFRIBOFLAVINEX,Y3F4G0.7
RBFRIBOFLAVINEA1NB90.7
RBFRIBOFLAVINEA,B1I180.7
RBFRIBOFLAVINEA3DDY0.7
RBFRIBOFLAVINEA2CCB0.7
FO11-deoxy-1-(8-hydroxy-2,4-dioxo-
3,4-dihydropyrimido[4,5-b]quinolin-
10(2H)-yl)-D-ribitol
A,B,C,D3C3D0.77
FO11-deoxy-1-(8-hydroxy-2,4-dioxo-
3,4-dihydropyrimido[4,5-b]quinolin-
10(2H)-yl)-D-ribitol
A,B,C,D3C3E0.77
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE
A4PAX0.73
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A1QNF0.77
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A,B,C,D,I,K1TEZ0.77
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A2J070.77
NN21-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-
2H-1,2,4-BENZOTHIADIAZIN-3-YL)-
6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-
ONE
A,B2GIQ0.82
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.71
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.74
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE
A1TKX0.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.7
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ70.72
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE
A,B3E650.71
IRF1-DEOXY-1-(8-IODO-7-METHYL-2,4-
DIOXO-3,4-DIHYDROBENZO[G]PTERIDIN-
10(2H)-YL)-D-RIBITOL
A2J080.7
LFNLUMIFLAVINA2CCC0.71
8883-(1,1-dioxido-4H-1,2,4-benzothiadiazin-
3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-
2(1H)-one
A,B2FVC0.87
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE
A1YV30.71
RS31-deoxy-1-[8-(dimethylamino)-7-
methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-
10(2H)-yl]-D-ribitol
X,Y3F4H0.71
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE
A,B1UK00.73
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.79
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.71
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ80.72
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one
A3BZ90.72