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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02469454

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.81
NBENITROSOBENZENEA2LH70.81
NBENITROSOBENZENEA2NSS0.81
TNL2,4,6-TRINITROTOLUENEA1GVR0.76
ANLANILINEA2OV40.72
ANLANILINEA1AEE0.72
ANLANILINEA1PPA0.72
ANLANILINEA1HJ90.72
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.77
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.85
1MRN-METHYLANILINEX2OTZ0.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.72
NYLN-ALLYL-ANILINEA1OVK0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.82
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.75
NINDINITROPHENYLENEA1RSM0.84
NINDINITROPHENYLENEA1GVY0.84
NINDINITROPHENYLENEA1GW10.84
NBZNITROBENZENEA,B2BMQ0.87
NBZNITROBENZENEA,B3BGU0.87
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
3NT3-NITROTOLUENEA,B2BMR0.8
3NT3-NITROTOLUENEA,B2HMO0.8
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.75
NIT4-NITROANILINEC,D1RMH0.86
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.86
NIT4-NITROANILINEB1VBS0.86
NIT4-NITROANILINEC1V9T0.86
NIT4-NITROANILINEC,D1VBT0.86
NIT4-NITROANILINEB1LOP0.86
NIT4-NITROANILINEC,D1ZKF0.86
NIT4-NITROANILINEB1PIP0.86
264(phenylamino)acetonitrileA2RBN0.7