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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03538124

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.78
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
1AN2-FLUOROANILINEA1LGW0.86
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
NINDINITROPHENYLENEA1RSM0.72
NINDINITROPHENYLENEA1GVY0.72
NINDINITROPHENYLENEA1GW10.72
NBENITROSOBENZENEA1LH70.79
NBENITROSOBENZENEA2LH70.79
NBENITROSOBENZENEA2NSS0.79
PRY2-PROPYL-ANILINEA1OWY0.72
5AN3,5-DIFLUOROANILINEA1LGX0.86
NYLN-ALLYL-ANILINEA1OVK0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
PHZ1-PHENYLHYDRAZINEA2E2T0.75
PHZ1-PHENYLHYDRAZINED,H2AGL0.75
34A3,4-DIMETHYLANILINEA1L4K0.7
1MRN-METHYLANILINEX2OTZ0.7
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
264(phenylamino)acetonitrileA2RBN0.7
ANLANILINEA2OV40.82
ANLANILINEA1AEE0.82
ANLANILINEA1PPA0.82
ANLANILINEA1HJ90.82
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.76
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72