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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013013

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3XH3-Hydroxyhippuric acidA3E9K0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.77
3HB3-HYDROXYBENZOIC ACIDA2DKH0.77
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.83
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.83
4NL4-AMINOPHENOLA2ORL0.73
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.72
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.74
34D3,5-DIHYDROXYBENZOATEA,B2BX70.72
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.93
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.93
3MB3-METHOXYBENZAMIDEA3PAX0.71
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
P1JCM0.71
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBM0.71
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBL0.71
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBF0.71
44CA2FBR0.74
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.74
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.75
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.88
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
6CAA2FLM0.73
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.77
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.75