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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02158180

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PSGPARA-NITROPHENYL 1-THIO-BETA-D-
GLUCOPYRANOSIDE
A,B1E1F0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.85
D3F2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-
1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE
A2GZ70.72
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.76
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.72
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
NINDINITROPHENYLENEA1RSM0.8
NINDINITROPHENYLENEA1GVY0.8
NINDINITROPHENYLENEA1GW10.8
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73