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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018341

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.88
5AN3,5-DIFLUOROANILINEA1LGX0.75
1AN2-FLUOROANILINEA1LGW0.78
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.72
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.72
PHZ1-PHENYLHYDRAZINEA2E2T0.74
PHZ1-PHENYLHYDRAZINED,H2AGL0.74
4NS4-nitrophenyl sulfateX2ZYU0.71
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
TNL2,4,6-TRINITROTOLUENEA1GVR0.82
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.81
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
SANSULFANILAMIDEA1AJ00.71
NBENITROSOBENZENEA1LH70.91
NBENITROSOBENZENEA2LH70.91
NBENITROSOBENZENEA2NSS0.91
ANLANILINEA2OV40.81
ANLANILINEA1AEE0.81
ANLANILINEA1PPA0.81
ANLANILINEA1HJ90.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
NINDINITROPHENYLENEA1RSM0.94
NINDINITROPHENYLENEA1GVY0.94
NINDINITROPHENYLENEA1GW10.94
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.81
NIT4-NITROANILINEC,D1RMH0.96
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.96
NIT4-NITROANILINEB1VBS0.96
NIT4-NITROANILINEC1V9T0.96
NIT4-NITROANILINEC,D1VBT0.96
NIT4-NITROANILINEB1LOP0.96
NIT4-NITROANILINEC,D1ZKF0.96
NIT4-NITROANILINEB1PIP0.96
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.83
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.83
PNZP-NITRO-BENZYLAMINEA,B2C700.83
3NT3-NITROTOLUENEA,B2BMR0.87
3NT3-NITROTOLUENEA,B2HMO0.87
NBZNITROBENZENEA,B2BMQ0.97
NBZNITROBENZENEA,B3BGU0.97
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.8