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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02405762

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.84
TNL2,4,6-TRINITROTOLUENEA1GVR0.76
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
5AN3,5-DIFLUOROANILINEA1LGX0.84
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
NBENITROSOBENZENEA1LH70.8
NBENITROSOBENZENEA2LH70.8
NBENITROSOBENZENEA2NSS0.8
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.74
NINDINITROPHENYLENEA1RSM0.84
NINDINITROPHENYLENEA1GVY0.84
NINDINITROPHENYLENEA1GW10.84
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
1AN2-FLUOROANILINEA1LGW0.81
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
NBZNITROBENZENEA,B2BMQ0.86
NBZNITROBENZENEA,B3BGU0.86