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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00017727

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.78
PHZ1-PHENYLHYDRAZINEA2E2T0.7
PHZ1-PHENYLHYDRAZINED,H2AGL0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.89
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
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
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.71
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.7
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.83
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.7
1AN2-FLUOROANILINEA1LGW0.73
3NT3-NITROTOLUENEA,B2BMR0.82
3NT3-NITROTOLUENEA,B2HMO0.82
NINDINITROPHENYLENEA1RSM0.88
NINDINITROPHENYLENEA1GVY0.88
NINDINITROPHENYLENEA1GW10.88
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.77
NBENITROSOBENZENEA1LH70.85
NBENITROSOBENZENEA2LH70.85
NBENITROSOBENZENEA2NSS0.85
NBZNITROBENZENEA,B2BMQ0.91
NBZNITROBENZENEA,B3BGU0.91
5AN3,5-DIFLUOROANILINEA1LGX0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.8