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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02590177

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
35B4-bromo-3-(carboxymethoxy)-5-{3-
[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-
2-carboxylic acid
A2ZMM0.7
ILCA2FPV0.73
VR1(2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-
4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-
YL}AMINO)-2-(4-FLUOROPHENYL)-N-
[(4-NITROPHENYL)SULFONYL]ACETAMIDE
A,B2O5D0.71
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1XOS0.7
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1TBF0.7
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A,B,C2H420.7
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1UDT0.7
AXA(5S)-5-(2-amino-2-oxoethyl)-4-oxo-
N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-
6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-
d]pyrimidine-2-carboxamide
A,B3DNG0.85
J12N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-
ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-BENZAMIDE
D,E,F,G,H1PZK0.7
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.74
B98(3R)-3-(aminomethyl)-9-methoxy-
1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-
e][1,4]diazepin-5-one
A3FZ10.75
B98(3R)-3-(aminomethyl)-9-methoxy-
1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-
e][1,4]diazepin-5-one
X3FYK0.75
462N-[amino(imino)methyl]-2-[2-(2-
chlorophenyl)-4-(4-propoxyphenyl)-
3-thienyl]acetamide
A2QU30.7
11M1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-
1-yl]carbonyl}spiro[1-benzofuran-
3,4'-piperidin]-5-yl)methanamine
A,B,C,D2ZEB0.73
MSI1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-
1-SULFONYL)-1H-INDOLE-2,3-DIONE
A1GFW0.71
NFN6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1T9W0.71
BIJ7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY-
4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}-
2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}-
2-METHYL-2,3-DIHYDRO-1H-ISOINDOL-
1-ONE
A2JKO0.72