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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03538538

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.88
NBENITROSOBENZENEA2LH70.88
NBENITROSOBENZENEA2NSS0.88
5AN3,5-DIFLUOROANILINEA1LGX0.73
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.92
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.78
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.74
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.82
NINDINITROPHENYLENEA1RSM0.96
NINDINITROPHENYLENEA1GVY0.96
NINDINITROPHENYLENEA1GW10.96
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.81
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.79
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
NBZNITROBENZENEA,B2BMQ0.92
NBZNITROBENZENEA,B3BGU0.92
3NT3-NITROTOLUENEA,B2BMR0.83
3NT3-NITROTOLUENEA,B2HMO0.83
1AN2-FLUOROANILINEA1LGW0.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.81
NPOP-NITROPHENOLA,B1Z440.71
NPOP-NITROPHENOLX2ZYW0.71
NPOP-NITROPHENOLH,L1YEK0.71
NPOP-NITROPHENOLA,C,E,G43CA0.71
NPOP-NITROPHENOLA1LS60.71
NPOP-NITROPHENOLX2ZVP0.71
NPOP-NITROPHENOLA,B2I100.71
NPOP-NITROPHENOLA1VAH0.71
NPOP-NITROPHENOLA,B3ETT0.71
NPOP-NITROPHENOLA,B2D200.71
NPOP-NITROPHENOLX2ZYV0.71
NIT4-NITROANILINEC,D1RMH0.89
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.89
NIT4-NITROANILINEB1VBS0.89
NIT4-NITROANILINEC1V9T0.89
NIT4-NITROANILINEC,D1VBT0.89
NIT4-NITROANILINEB1LOP0.89
NIT4-NITROANILINEC,D1ZKF0.89
NIT4-NITROANILINEB1PIP0.89
DNF2,4-DINITROPHENOLA,B2B160.7
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.7
DNF2,4-DINITROPHENOLA1GVO0.7
DNF2,4-DINITROPHENOLA,B2B150.7
DNF2,4-DINITROPHENOLA,B2B140.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.84
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71