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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03099233

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE
A1CVZ0.71
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
A2W090.71
4PPC,L1XKA0.76
4PPA,B,C,D1XKB0.76
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.73
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.74
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.72
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.7
4FW4-FLUOROTRYPTOPHANEA1RM90.73
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.83
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.75
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID
H2ANM0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.72
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.74
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.72
4IN4-AMINO-L-TRYPTOPHANA1OXF0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.71
APY2-AMINOMETHYL-PYRIDINEI1IVP0.71