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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015373

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NINDINITROPHENYLENEA1RSM0.86
NINDINITROPHENYLENEA1GVY0.86
NINDINITROPHENYLENEA1GW10.86
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
5AN3,5-DIFLUOROANILINEA1LGX0.75
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
1AN2-FLUOROANILINEA1LGW0.75
NBENITROSOBENZENEA1LH70.83
NBENITROSOBENZENEA2LH70.83
NBENITROSOBENZENEA2NSS0.83
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.7
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.76
3NT3-NITROTOLUENEA,B2BMR0.8
3NT3-NITROTOLUENEA,B2HMO0.8
TNL2,4,6-TRINITROTOLUENEA1GVR0.77
NBZNITROBENZENEA,B2BMQ0.89
NBZNITROBENZENEA,B3BGU0.89
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.85
NIT4-NITROANILINEC,D1RMH0.93
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.93
NIT4-NITROANILINEB1VBS0.93
NIT4-NITROANILINEC1V9T0.93
NIT4-NITROANILINEC,D1VBT0.93
NIT4-NITROANILINEB1LOP0.93
NIT4-NITROANILINEC,D1ZKF0.93
NIT4-NITROANILINEB1PIP0.93
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.87
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.8
PNZP-NITRO-BENZYLAMINEA,B2C700.8