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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00113918

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIT4-NITROANILINEC,D1RMH0.79
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.79
NIT4-NITROANILINEB1VBS0.79
NIT4-NITROANILINEC1V9T0.79
NIT4-NITROANILINEC,D1VBT0.79
NIT4-NITROANILINEB1LOP0.79
NIT4-NITROANILINEC,D1ZKF0.79
NIT4-NITROANILINEB1PIP0.79
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
SANSULFANILAMIDEA1AJ00.86
SG13-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-
BENZENESULFONAMIDE
A1KWQ0.71
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.85
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.7
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.83
I7B4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDEA2POV0.73
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
SDA4-AMINO-3,5-DICHLOROBENZENESULFONAMIDEA1ZGE0.71
NBZNITROBENZENEA,B2BMQ0.76
NBZNITROBENZENEA,B3BGU0.76
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
OSPSULTHIAMEA2Q1Q0.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
NINDINITROPHENYLENEA1RSM0.76
NINDINITROPHENYLENEA1GVY0.76
NINDINITROPHENYLENEA1GW10.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.72
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E360.73
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E370.73
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E380.73
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.74
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.74
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.81
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.76
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.8