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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03286316

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FLDBIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-
1,6-DIAMINE
A,B154D0.73
KS41-cyclobutyl-3-(3,4-dimethoxyphenyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine
A,B3EN50.7
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEU0.71
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEV0.71
MT32-benzyl-5-{4-[(6,7-dimethoxyquinolin-
4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-
4(3H)-one
A,B3EFJ0.74
DRY[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-
1H-INDOL-5-YL)OXY]ACETIC ACID
A2HWQ0.71
PCH3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-
4-YLOXY)BUTAN-2-OL
I1E820.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.75
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.74
DH3A2FZJ0.71
DH3A2FZI0.71
25310,11-dimethoxy-4-methyldibenzo[c,f]-
2,7-naphthyridine-3,6-diamine
A2R7B0.77
9944-(2-anilinopyridin-3-yl)-N-(3,4,5-
trimethoxyphenyl)-1,3,5-triazin-
2-amine
A2P2H0.71
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE
A1O2T0.71
I48N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-
ETHOXY]-PHENYL}-BENZENESULFONAMIDE
H1UVT0.71
AM72-benzyl-5-(3-fluoro-4-{[6-methoxy-
7-(3-morpholin-4-ylpropoxy)quinolin-
4-yl]oxy}phenyl)-3-methylpyrimidin-
4(3H)-one
A,B2RFN0.72
CR32-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2H0.7
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.72
43A(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-
3-(1H-PYRROL-2-YLMETHYLENE)-1,3-
DIHYDRO-2H-INDOL-2-ONE
A2AYP0.73
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A1YHO0.71
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A1LUD0.71
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A2HM90.71
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHS0.72
BERBERBERINEA3D6Y0.83
BERBERBERINEA,B,D,E1JUM0.83
BERBERBERINEA,B,D,E3BTI0.83
BERBERBERINEA2QVD0.83
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.74
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.74
AI32,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-
C]ISOQUINOLIN-6-IUM
A,C,D1TL80.81
QUNQUINACRINEA,B1JQE0.73
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL
A,B2OP00.78
MT45-{4-[(6,7-dimethoxyquinolin-4-
yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-
3-methylpyrimidin-4(3H)-one
A,B3EFK0.71
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.71
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID
A2F4B0.7
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid
A3ET30.71
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid
A,B3ET10.71
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid
A,B3ET20.71
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B2OP10.79
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B,C,D3FNE0.79
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
B1UTS0.75
POF(4aS,4bR,10bS,12aS)-12a-methyl-
1,3-dioxo-2-(pyridin-3-ylmethyl)-
1,2,3,4,4a,4b,5,6,10b,11,12,12a-
dodecahydronaphtho[2,1-f]isoquinolin-
8-yl sulfamate
A3C7P0.7
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.7
LII(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-
1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-
D]PYRIMIDINE
A1KMV0.71
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.7
887N-cyclopropyl-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8R0.73
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,D1J4R0.76
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid
A,B2WAP0.76
DRD2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-
NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-
YL)OXY]-2-METHYLPROPANOIC ACID
A2HWR0.7
RAR5-(3,4-dimethoxy-5-{(1E)-3-oxo-
3-[(1S)-1-propylphthalazin-2(1H)-
yl]prop-1-en-1-yl}benzyl)pyrimidine-
2,4-diamine
A,B,C,D,E,F,
G,H
3FL80.72
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE
A1WBW0.73
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.71
DITDITERCALINIUMA1D320.71
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,D2FM00.7
H863-(decyloxy)-5-(3,5-difluorophenyl)-
1-(2,2-diphosphonoethyl)pyridinium
A,B2Z780.74
3LG(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETIC ACID
B2G260.71
4LGMETHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETATE
A,B2G270.71
AQ4[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-
4-YL]-(3-ETHYNYLPHENYL)AMINE
A1M170.7
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.79
PFH6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-
1-YL]QUINAZOLINE
A2OVV0.71
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.74
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.77
TOPTRIMETHOPRIMA1DG50.73
TOPTRIMETHOPRIMA,B,C,D,E,F2W9S0.73
TOPTRIMETHOPRIMA,B,C,D2BFM0.73
TOPTRIMETHOPRIMA2W9G0.73
TOPTRIMETHOPRIMA,B,C,D,E,F,
G,H
3FL90.73
TOPTRIMETHOPRIMA1DYR0.73
TOPTRIMETHOPRIMA2W9H0.73
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide
A,B3E8R0.7
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.72
2EA(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-
6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE
E2F7E0.72
SS5(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-
3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2UZV0.72
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FLS0.7
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FM10.7
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE
11HRV0.75
3076,7-DIMETHYL-3-[(METHYL{2-[METHYL({1-
[3-(TRIFLUOROMETHYL)PHENYL]-1H-
INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]-
4H-CHROMEN-4-ONE
A,C2AZ50.71
2RLN-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-
4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-
4-CARBOXAMIDE
A2RL50.71
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,D2FM50.7
900N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8Q0.71
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
A1U710.71
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
A1DLR0.71
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.84
2321,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-
C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-
4-YL]-PROPANE
A1C9Z0.71
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID
A1KNU0.7
C4F3-(3-methoxybenzyl)-1H-pyrrolo[2,3-
b]pyridine
A,B3C4F0.7
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA
A2HZN0.73
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.9