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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008200

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPOP-NITROPHENOLA,B1Z440.73
NPOP-NITROPHENOLX2ZYW0.73
NPOP-NITROPHENOLH,L1YEK0.73
NPOP-NITROPHENOLA,C,E,G43CA0.73
NPOP-NITROPHENOLA1LS60.73
NPOP-NITROPHENOLX2ZVP0.73
NPOP-NITROPHENOLA,B2I100.73
NPOP-NITROPHENOLA1VAH0.73
NPOP-NITROPHENOLA,B3ETT0.73
NPOP-NITROPHENOLA,B2D200.73
NPOP-NITROPHENOLX2ZYV0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.83
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
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
3NT3-NITROTOLUENEA,B2BMR0.89
3NT3-NITROTOLUENEA,B2HMO0.89
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.72
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.71
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.71
4NP4-NITROPHENYL PHOSPHATEA2I6P0.71
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
PHZ1-PHENYLHYDRAZINEA2E2T0.74
PHZ1-PHENYLHYDRAZINED,H2AGL0.74
5AN3,5-DIFLUOROANILINEA1LGX0.77
TNL2,4,6-TRINITROTOLUENEA1GVR0.82
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.85
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.97
PRY2-PROPYL-ANILINEA1OWY0.71
1AN2-FLUOROANILINEA1LGW0.79
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.86
SANSULFANILAMIDEA1AJ00.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
4NS4-nitrophenyl sulfateX2ZYU0.73
NINDINITROPHENYLENEA1RSM0.94
NINDINITROPHENYLENEA1GVY0.94
NINDINITROPHENYLENEA1GW10.94
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.83
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.83
PNZP-NITRO-BENZYLAMINEA,B2C700.83
ANLANILINEA2OV40.83
ANLANILINEA1AEE0.83
ANLANILINEA1PPA0.83
ANLANILINEA1HJ90.83
NBZNITROBENZENEA,B2BMQ1
NBZNITROBENZENEA,B3BGU1
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.82
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
NBENITROSOBENZENEA1LH70.93
NBENITROSOBENZENEA2LH70.93
NBENITROSOBENZENEA2NSS0.93
1MRN-METHYLANILINEX2OTZ0.71