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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01678305

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid
A,B2WAP0.77
QUNQUINACRINEA,B1JQE0.72
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.73
ROF3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE
A,B1XOQ0.7
ROF3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE
A,B1XMU0.7
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDV0.71
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
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.78
H1L(2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-
2-YL]OXY}PHENOXY)PROPANOIC ACID
A,B,C1UYS0.78
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE
11HRV0.7
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE
A1WBW0.73
PCH3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-
4-YLOXY)BUTAN-2-OL
I1E820.72
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
7213-butoxy-1-(2,2-diphosphonoethyl)pyridiniumA,B3DYH0.7
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.72
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.73
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.72
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL
A,B2OP00.76
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.71
L11N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-
PHENYL]-3-FLUORO-
A1W830.74
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
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B2OP10.77
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B,C,D3FNE0.77
H863-(decyloxy)-5-(3,5-difluorophenyl)-
1-(2,2-diphosphonoethyl)pyridinium
A,B2Z780.72
TCD3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-
2-YL)OXY]PHENOXY}PYRIDINE
A,B,C,D,E,F,
G,H
1XLS0.81
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDO0.72
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDT0.72
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2C1A0.72
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA
A2HZN0.73
2823-methoxypyridineX2RBZ0.72