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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01304944

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
1AN2-FLUOROANILINEA1LGW0.77
5AN3,5-DIFLUOROANILINEA1LGX0.75
URSN-PHENYLTHIOUREAA,B1BUG0.72
SANSULFANILAMIDEA1AJ00.72
34A3,4-DIMETHYLANILINEA1L4K0.73
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
PL01-phenylguanidineA2O8W0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
PRY2-PROPYL-ANILINEA1OWY0.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
1MRN-METHYLANILINEX2OTZ0.8
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
NYLN-ALLYL-ANILINEA1OVK0.78
NIT4-NITROANILINEC,D1RMH0.74
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.74
NIT4-NITROANILINEB1VBS0.74
NIT4-NITROANILINEC1V9T0.74
NIT4-NITROANILINEC,D1VBT0.74
NIT4-NITROANILINEB1LOP0.74
NIT4-NITROANILINEC,D1ZKF0.74
NIT4-NITROANILINEB1PIP0.74
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74
NBZNITROBENZENEA,B2BMQ0.7
NBZNITROBENZENEA,B3BGU0.7
264(phenylamino)acetonitrileA2RBN0.77
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71
ANLANILINEA2OV40.8
ANLANILINEA1AEE0.8
ANLANILINEA1PPA0.8
ANLANILINEA1HJ90.8