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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03110646

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TOPTRIMETHOPRIMA1DG50.71
TOPTRIMETHOPRIMA,B,C,D,E,F2W9S0.71
TOPTRIMETHOPRIMA,B,C,D2BFM0.71
TOPTRIMETHOPRIMA2W9G0.71
TOPTRIMETHOPRIMA,B,C,D,E,F,
G,H		3FL90.71
TOPTRIMETHOPRIMA1DYR0.71
TOPTRIMETHOPRIMA2W9H0.71
PCH3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-
4-YLOXY)BUTAN-2-OL		I1E820.76
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.75
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHS0.73
FPTN-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-
N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA		A1DTQ0.71
DH3A2FZJ0.71
DH3A2FZI0.71
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid		A,B2WAP0.77
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.73
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.7
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.7
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide		A,B2P2I0.71
I48N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-
ETHOXY]-PHENYL}-BENZENESULFONAMIDE		H1UVT0.71
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE		B1UTS0.7
7213-butoxy-1-(2,2-diphosphonoethyl)pyridiniumA,B3DYH0.71
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE		A,B,C1O6H0.73
PC01-[2-(4-ETHOXY-3-FLUOROPYRIDIN-
2-YL)ETHYL]-3-(5-METHYLPYRIDIN-
2-YL)THIOUREA		A2HNZ0.72
3FP(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-
{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
4-YL)AMINO]PHENOXY}PROPAN-2-OL		A1V1K0.71
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.71
6233,3'-[3,5-DIFLUORO-4-METHYL-2,6-
PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE)		A1QB60.72
TCD3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-
2-YL)OXY]PHENOXY}PYRIDINE		A,B,C,D,E,F,
G,H		1XLS0.7
DH12,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINEA2FZH0.72
H1L(2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-
2-YL]OXY}PHENOXY)PROPANOIC ACID		A,B,C1UYS0.78
LII(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-
1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-
D]PYRIMIDINE		A1KMV0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE		A,B,C,D2W0D0.74
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE		A3AYK0.74
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE		A,B1JIZ0.74
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE		A4AYK0.74
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA		A2HZN0.77
4PY(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-
PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		E2OJF0.72
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.83
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME		A,B2FB80.7
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUK0.72
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEU0.72
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEV0.72
7221-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridiniumA,B3EGT0.73
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.72
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.72
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHQ0.72
C4F3-(3-methoxybenzyl)-1H-pyrrolo[2,3-
b]pyridine		A,B3C4F0.72
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE		A1WBW0.77
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
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.72
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE		11HRV0.75
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL		A,B2OP00.71
H863-(decyloxy)-5-(3,5-difluorophenyl)-
1-(2,2-diphosphonoethyl)pyridinium		A,B2Z780.72
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine		A,B,C,D3BHU0.7
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,D,U,X1FM60.75
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,B2PRG0.75
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A1ZGY0.75
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,B3CS80.75
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,D3DZY0.75
319N-({4-[(2-aminopyridin-4-yl)oxy]-
3-fluorophenyl}carbamoyl)-2-(4-
fluorophenyl)acetamide		A3CTH0.73
2823-methoxypyridineX2RBZ0.72
2EA(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-
6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE		E2F7E0.7