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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003910

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
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
NIT4-NITROANILINEC,D1RMH0.87
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.87
NIT4-NITROANILINEB1VBS0.87
NIT4-NITROANILINEC1V9T0.87
NIT4-NITROANILINEC,D1VBT0.87
NIT4-NITROANILINEB1LOP0.87
NIT4-NITROANILINEC,D1ZKF0.87
NIT4-NITROANILINEB1PIP0.87
PHZ1-PHENYLHYDRAZINEA2E2T0.84
PHZ1-PHENYLHYDRAZINED,H2AGL0.84
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.73
1AN2-FLUOROANILINEA1LGW0.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.82
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.95
NBENITROSOBENZENEA1LH70.78
NBENITROSOBENZENEA2LH70.78
NBENITROSOBENZENEA2NSS0.78
NINDINITROPHENYLENEA1RSM0.87
NINDINITROPHENYLENEA1GVY0.87
NINDINITROPHENYLENEA1GW10.87
NBZNITROBENZENEA,B2BMQ0.84
NBZNITROBENZENEA,B3BGU0.84
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.77
5AN3,5-DIFLUOROANILINEA1LGX0.71
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76