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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03433425

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.74
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.7
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.77
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.7
PNZP-NITRO-BENZYLAMINEA,B2C700.7
I7B4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDEA2POV0.72
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.77
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.7
OSPSULTHIAMEA2Q1Q0.74
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.73
NINDINITROPHENYLENEA1RSM0.74
NINDINITROPHENYLENEA1GVY0.74
NINDINITROPHENYLENEA1GW10.74
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.82
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.7
NBZNITROBENZENEA,B2BMQ0.74
NBZNITROBENZENEA,B3BGU0.74
NIT4-NITROANILINEC,D1RMH0.78
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.78
NIT4-NITROANILINEB1VBS0.78
NIT4-NITROANILINEC1V9T0.78
NIT4-NITROANILINEC,D1VBT0.78
NIT4-NITROANILINEB1LOP0.78
NIT4-NITROANILINEC,D1ZKF0.78
NIT4-NITROANILINEB1PIP0.78
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.72
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.72
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.78
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.73
SANSULFANILAMIDEA1AJ00.83