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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01986348

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.84
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.7
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E360.76
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E370.76
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E380.76
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
I7B4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDEA2POV0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.83
SANSULFANILAMIDEA1AJ00.85
NINDINITROPHENYLENEA1RSM0.75
NINDINITROPHENYLENEA1GVY0.75
NINDINITROPHENYLENEA1GW10.75
SDA4-AMINO-3,5-DICHLOROBENZENESULFONAMIDEA1ZGE0.71
3NT3-NITROTOLUENEA,B2BMR0.7
3NT3-NITROTOLUENEA,B2HMO0.7
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.79
OSPSULTHIAMEA2Q1Q0.76
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.71
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.78
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.8
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
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.73
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.73
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.73
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.73
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.73
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.73
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.73
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.73
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.73
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
SG13-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-
BENZENESULFONAMIDE
A1KWQ0.74
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.7