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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03128758

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.84
3NT3-NITROTOLUENEA,B2HMO0.84
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
NBENITROSOBENZENEA1LH70.87
NBENITROSOBENZENEA2LH70.87
NBENITROSOBENZENEA2NSS0.87
1AN2-FLUOROANILINEA1LGW0.77
5AN3,5-DIFLUOROANILINEA1LGX0.75
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.8
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.72
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.91
NBZNITROBENZENEA,B2BMQ0.94
NBZNITROBENZENEA,B3BGU0.94
SANSULFANILAMIDEA1AJ00.71
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
NIT4-NITROANILINEC,D1RMH0.95
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.95
NIT4-NITROANILINEB1VBS0.95
NIT4-NITROANILINEC1V9T0.95
NIT4-NITROANILINEC,D1VBT0.95
NIT4-NITROANILINEB1LOP0.95
NIT4-NITROANILINEC,D1ZKF0.95
NIT4-NITROANILINEB1PIP0.95
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.89
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.82
PNZP-NITRO-BENZYLAMINEA,B2C700.82
NINDINITROPHENYLENEA1RSM0.9
NINDINITROPHENYLENEA1GVY0.9
NINDINITROPHENYLENEA1GW10.9
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.8
ANLANILINEA2OV40.8
ANLANILINEA1AEE0.8
ANLANILINEA1PPA0.8
ANLANILINEA1HJ90.8
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.8