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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015642

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.84
5AN3,5-DIFLUOROANILINEA1LGX0.73
ANLANILINEA2OV40.77
ANLANILINEA1AEE0.77
ANLANILINEA1PPA0.77
ANLANILINEA1HJ90.77
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
PHZ1-PHENYLHYDRAZINEA2E2T0.86
PHZ1-PHENYLHYDRAZINED,H2AGL0.86
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
3NT3-NITROTOLUENEA,B2BMR0.77
3NT3-NITROTOLUENEA,B2HMO0.77
NBENITROSOBENZENEA1LH70.8
NBENITROSOBENZENEA2LH70.8
NBENITROSOBENZENEA2NSS0.8
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.74
1AN2-FLUOROANILINEA1LGW0.75
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.7
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ1
NIT4-NITROANILINEC,D1RMH0.92
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.92
NIT4-NITROANILINEB1VBS0.92
NIT4-NITROANILINEC1V9T0.92
NIT4-NITROANILINEC,D1VBT0.92
NIT4-NITROANILINEB1LOP0.92
NIT4-NITROANILINEC,D1ZKF0.92
NIT4-NITROANILINEB1PIP0.92
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
NBZNITROBENZENEA,B2BMQ0.86
NBZNITROBENZENEA,B3BGU0.86
NINDINITROPHENYLENEA1RSM0.83
NINDINITROPHENYLENEA1GVY0.83
NINDINITROPHENYLENEA1GW10.83