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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003033

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.87
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.83
NINDINITROPHENYLENEA1RSM0.95
NINDINITROPHENYLENEA1GVY0.95
NINDINITROPHENYLENEA1GW10.95
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.89
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.78
SANSULFANILAMIDEA1AJ00.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
5AN3,5-DIFLUOROANILINEA1LGX0.77
TNL2,4,6-TRINITROTOLUENEA1GVR0.83
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.7
3NT3-NITROTOLUENEA,B2BMR0.82
3NT3-NITROTOLUENEA,B2HMO0.82
PRY2-PROPYL-ANILINEA1OWY0.71
1AN2-FLUOROANILINEA1LGW0.79
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
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
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.83
NBENITROSOBENZENEA1LH70.85
NBENITROSOBENZENEA2LH70.85
NBENITROSOBENZENEA2NSS0.85
NBZNITROBENZENEA,B2BMQ0.91
NBZNITROBENZENEA,B3BGU0.91
ANLANILINEA2OV40.82
ANLANILINEA1AEE0.82
ANLANILINEA1PPA0.82
ANLANILINEA1HJ90.82
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.82
PNZP-NITRO-BENZYLAMINEA,B2C700.82
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.79
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73
1MRN-METHYLANILINEX2OTZ0.71