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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02320684

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AN3,5-DIFLUOROANILINEA1LGX0.73
34A3,4-DIMETHYLANILINEA1L4K0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.82
PBZP-AMINO BENZAMIDINEA,B2BDG0.72
PBZP-AMINO BENZAMIDINEA1RFN0.72
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.72
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.72
PBZP-AMINO BENZAMIDINEA1FIZ0.72
PBZP-AMINO BENZAMIDINEA1FIW0.72
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.72
3NT3-NITROTOLUENEA,B2BMR0.85
3NT3-NITROTOLUENEA,B2HMO0.85
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
PRY2-PROPYL-ANILINEA1OWY0.77
NIT4-NITROANILINEC,D1RMH0.81
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.81
NIT4-NITROANILINEB1VBS0.81
NIT4-NITROANILINEC1V9T0.81
NIT4-NITROANILINEC,D1VBT0.81
NIT4-NITROANILINEB1LOP0.81
NIT4-NITROANILINEC,D1ZKF0.81
NIT4-NITROANILINEB1PIP0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.85
PNZP-NITRO-BENZYLAMINEA,B2C700.85
1AN2-FLUOROANILINEA1LGW0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.79
NINDINITROPHENYLENEA1RSM0.81
NINDINITROPHENYLENEA1GVY0.81
NINDINITROPHENYLENEA1GW10.81
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.92
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.79
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.79
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.76