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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02549444

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CO42,4-DIAMINO-5-METHYL-6-[(3,4,5-
TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-
D]PYRIMIDINE
A1PD80.73
CO42,4-DIAMINO-5-METHYL-6-[(3,4,5-
TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-
D]PYRIMIDINE
A1PD90.73
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A1RFT0.7
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A,B2Z9V0.7
MSD1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-
PHENYL)-CYCLOPROPYL]-3-(5-CYANO-
PYRIDIN-2-YL)-THIOUREA
A1IKY0.71
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.7
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA
A2HZN0.71
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.73
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.7
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.7
M98(S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-
2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-
HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-
OXIDE
A,B,C,D2FM00.71
I48N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-
ETHOXY]-PHENYL}-BENZENESULFONAMIDE
H1UVT0.71
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.79
43A(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-
3-(1H-PYRROL-2-YLMETHYLENE)-1,3-
DIHYDRO-2H-INDOL-2-ONE
A2AYP0.73
6233,3'-[3,5-DIFLUORO-4-METHYL-2,6-
PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE)
A1QB60.7
PD11-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-
PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-
PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA
A,B2FGI0.71
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B2OP10.76
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B,C,D3FNE0.76
0011-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-
PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-
PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-
BUTYL ESTER
A,B,D1J4R0.73
6882-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-
6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-
YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID
A1QBN0.71
M99(R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-
2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-
HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-
OXIDE
A,B,C,D2FM50.71
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.75
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.72
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid
A,B2WAP0.74
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHS0.7
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE
A,B1XM40.71
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE
A,B1XON0.71
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE
A,B1JES0.72
7PY7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
A,B2ETM0.72
SROSEROTONINA,B3BRN0.7
SROSEROTONINA2QEH0.7
25310,11-dimethoxy-4-methyldibenzo[c,f]-
2,7-naphthyridine-3,6-diamine
A2R7B0.71
9944-(2-anilinopyridin-3-yl)-N-(3,4,5-
trimethoxyphenyl)-1,3,5-triazin-
2-amine
A2P2H0.77
LZK6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-
D]PYRIMIDINE-2,7-DIAMINE
A,B2V590.73
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.74
AI32,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-
C]ISOQUINOLIN-6-IUM
A,C,D1TL80.73
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.71
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE
11HRV0.7
3ID3H-INDOLE-5,6-DIOLA1F9B0.72
3ID3H-INDOLE-5,6-DIOLA1OYO0.72
COQ2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
A1LY40.73
TOPTRIMETHOPRIMA1DG50.77
TOPTRIMETHOPRIMA,B,C,D,E,F2W9S0.77
TOPTRIMETHOPRIMA,B,C,D2BFM0.77
TOPTRIMETHOPRIMA2W9G0.77
TOPTRIMETHOPRIMA,B,C,D,E,F,
G,H
3FL90.77
TOPTRIMETHOPRIMA1DYR0.77
TOPTRIMETHOPRIMA2W9H0.77
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
A1MVS0.77
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
A1MVT0.77
PCH3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-
4-YLOXY)BUTAN-2-OL
I1E820.75
Z34N-[2-[5-[AMINO(IMINO)METHYL]-2-
HYDROXYPHENOXY]-3,5-DIFLUORO-6-
[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-
2-YL)PHENOXY]PYRIDIN-4-YL]-N-METHYLGLYCINE
A,L1FJS0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B,C,D2W0D0.7
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A3AYK0.7
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B1JIZ0.7
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A4AYK0.7
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A1YHO0.77
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A1LUD0.77
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A2HM90.77
BERBERBERINEA3D6Y0.73
BERBERBERINEA,B,D,E1JUM0.73
BERBERBERINEA,B,D,E3BTI0.73
BERBERBERINEA2QVD0.73
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL
A,B2OP00.79
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.72
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.72
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.72
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.71