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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00457757

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.88
NBENITROSOBENZENEA2LH70.88
NBENITROSOBENZENEA2NSS0.88
5AN3,5-DIFLUOROANILINEA1LGX0.73
NIT4-NITROANILINEC,D1RMH0.94
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.94
NIT4-NITROANILINEB1VBS0.94
NIT4-NITROANILINEC1V9T0.94
NIT4-NITROANILINEC,D1VBT0.94
NIT4-NITROANILINEB1LOP0.94
NIT4-NITROANILINEC,D1ZKF0.94
NIT4-NITROANILINEB1PIP0.94
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
3NT3-NITROTOLUENEA,B2BMR0.85
3NT3-NITROTOLUENEA,B2HMO0.85
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.7
NINDINITROPHENYLENEA1RSM0.91
NINDINITROPHENYLENEA1GVY0.91
NINDINITROPHENYLENEA1GW10.91
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.8
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.95
NPOP-NITROPHENOLA,B1Z440.72
NPOP-NITROPHENOLX2ZYW0.72
NPOP-NITROPHENOLH,L1YEK0.72
NPOP-NITROPHENOLA,C,E,G43CA0.72
NPOP-NITROPHENOLA1LS60.72
NPOP-NITROPHENOLX2ZVP0.72
NPOP-NITROPHENOLA,B2I100.72
NPOP-NITROPHENOLA1VAH0.72
NPOP-NITROPHENOLA,B3ETT0.72
NPOP-NITROPHENOLA,B2D200.72
NPOP-NITROPHENOLX2ZYV0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.81
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.86
1AN2-FLUOROANILINEA1LGW0.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.81
PNZP-NITRO-BENZYLAMINEA,B2C700.81
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.81
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.81
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.7
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.7
4NP4-NITROPHENYL PHOSPHATEA2I6P0.7
4NS4-nitrophenyl sulfateX2ZYU0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.8
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.71
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71
NBZNITROBENZENEA,B2BMQ0.95
NBZNITROBENZENEA,B3BGU0.95