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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01242739

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
3NT3-NITROTOLUENEA,B2BMR0.84
3NT3-NITROTOLUENEA,B2HMO0.84
ANCANTHRACEN-1-YLAMINEA,B1GT10.7
ANCANTHRACEN-1-YLAMINEA,B1HN20.7
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.86
PNZP-NITRO-BENZYLAMINEA,B2C700.86
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.74
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.74
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
34A3,4-DIMETHYLANILINEA1L4K0.77
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.78
NBZNITROBENZENEA,B2BMQ0.76
NBZNITROBENZENEA,B3BGU0.76
PBZP-AMINO BENZAMIDINEA,B2BDG0.73
PBZP-AMINO BENZAMIDINEA1RFN0.73
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.73
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.73
PBZP-AMINO BENZAMIDINEA1FIZ0.73
PBZP-AMINO BENZAMIDINEA1FIW0.73
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.73
NIT4-NITROANILINEC,D1RMH0.8
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.8
NIT4-NITROANILINEB1VBS0.8
NIT4-NITROANILINEC1V9T0.8
NIT4-NITROANILINEC,D1VBT0.8
NIT4-NITROANILINEB1LOP0.8
NIT4-NITROANILINEC,D1ZKF0.8
NIT4-NITROANILINEB1PIP0.8
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.91
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.77
9AP9-AMINOPHENANTHRENEA1EGY0.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.71
PRY2-PROPYL-ANILINEA1OWY0.8
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.77
NINDINITROPHENYLENEA1RSM0.8
NINDINITROPHENYLENEA1GVY0.8
NINDINITROPHENYLENEA1GW10.8
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.8
ISOPARA-ISOPROPYLANILINEA1BMA0.79
ISOPARA-ISOPROPYLANILINEA,B1ELC0.79
ISOPARA-ISOPROPYLANILINEA,B1ELB0.79
ISOPARA-ISOPROPYLANILINEA,B1ELA0.79
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79