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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010827

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.84
3NT3-NITROTOLUENEA,B2HMO0.84
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
5AN3,5-DIFLUOROANILINEA1LGX0.73
NBENITROSOBENZENEA1LH70.87
NBENITROSOBENZENEA2LH70.87
NBENITROSOBENZENEA2NSS0.87
TNL2,4,6-TRINITROTOLUENEA1GVR0.87
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
NINDINITROPHENYLENEA1RSM1
NINDINITROPHENYLENEA1GVY1
NINDINITROPHENYLENEA1GW11
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.72
NBZNITROBENZENEA,B2BMQ0.94
NBZNITROBENZENEA,B3BGU0.94
4NS4-nitrophenyl sulfateX2ZYU0.71
1AN2-FLUOROANILINEA1LGW0.75
NIT4-NITROANILINEC,D1RMH0.9
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.9
NIT4-NITROANILINEB1VBS0.9
NIT4-NITROANILINEC1V9T0.9
NIT4-NITROANILINEC,D1VBT0.9
NIT4-NITROANILINEB1LOP0.9
NIT4-NITROANILINEC,D1ZKF0.9
NIT4-NITROANILINEB1PIP0.9
DNF2,4-DINITROPHENOLA,B2B160.71
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.71
DNF2,4-DINITROPHENOLA1GVO0.71
DNF2,4-DINITROPHENOLA,B2B150.71
DNF2,4-DINITROPHENOLA,B2B140.71
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.83
TNFPICRIC ACIDA1GVS0.7
TNFPICRIC ACIDX1VYP0.7
TNFPICRIC ACIDA1VYR0.7
TNFPICRIC ACIDX1VYS0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.94
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.8
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.8
PNZP-NITRO-BENZYLAMINEA,B2C700.8