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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018061

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.72
NIYMETA-NITRO-TYROSINEA2ADP0.74
NIYMETA-NITRO-TYROSINEA3DIV0.74
NIYMETA-NITRO-TYROSINEA2H5U0.74
NIYMETA-NITRO-TYROSINEA1K4Q0.74
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.74
MHBA,B1SRG0.8
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.82
MTBA,B1SRF0.77
DMBA,B1SRI0.78
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.76
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
SHASALICYLHYDROXAMIC ACIDX1V0H0.73
SHASALICYLHYDROXAMIC ACIDA2QPK0.73
SHASALICYLHYDROXAMIC ACIDA3FNL0.73
SHASALICYLHYDROXAMIC ACIDA3GCJ0.73
SHASALICYLHYDROXAMIC ACIDA1CK60.73
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.86
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.86
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.86
NABA,B1SRJ0.74
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.76
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.74
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.74
MOBA,B1SRH0.74
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.72
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.7
PAB4-AMINOBENZOIC ACIDA1PBD0.74
PAB4-AMINOBENZOIC ACIDB2DZA0.74
PAB4-AMINOBENZOIC ACIDA1IUS0.74
PAB4-AMINOBENZOIC ACIDA1IUU0.74
PAB4-AMINOBENZOIC ACIDA1IUT0.74
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.73
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.72
HABA,B1SRE0.81
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.7
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.74
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.8
2724-(6-HYDROXY-BENZO[D]ISOXAZOL-3-
YL)BENZENE-1,3-DIOL
A,B,C,D1U3Q0.73
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.76
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.76