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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02649638

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.79
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.83
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.72
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.78
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.78
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.73
2MP3,4-DIMETHYLPHENOLA1L5O0.74
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.74
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.74
4NL4-AMINOPHENOLA2ORL0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.82
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.71
AEF4-(2-aminoethyl)phenolA3BRA0.84
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.78
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.8
2AC2-AMINO-P-CRESOLH,I1A2C0.74
2AC2-AMINO-P-CRESOLA1L4M0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
3XH3-Hydroxyhippuric acidA3E9K0.76
2LP2-ALLYLPHENOLA1OV50.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.73