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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02382598

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
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.74
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
PHZ1-PHENYLHYDRAZINEA2E2T0.78
PHZ1-PHENYLHYDRAZINED,H2AGL0.78
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.86
NIT4-NITROANILINEC,D1RMH0.87
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.87
NIT4-NITROANILINEB1VBS0.87
NIT4-NITROANILINEC1V9T0.87
NIT4-NITROANILINEC,D1VBT0.87
NIT4-NITROANILINEB1LOP0.87
NIT4-NITROANILINEC,D1ZKF0.87
NIT4-NITROANILINEB1PIP0.87
34A3,4-DIMETHYLANILINEA1L4K0.73
SANSULFANILAMIDEA1AJ00.73
264(phenylamino)acetonitrileA2RBN0.71
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.8
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.91
1AN2-FLUOROANILINEA1LGW0.85
ANLANILINEA2OV40.89
ANLANILINEA1AEE0.89
ANLANILINEA1PPA0.89
ANLANILINEA1HJ90.89
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
PRY2-PROPYL-ANILINEA1OWY0.76
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.79
NINDINITROPHENYLENEA1RSM0.87
NINDINITROPHENYLENEA1GVY0.87
NINDINITROPHENYLENEA1GW10.87
NBZNITROBENZENEA,B2BMQ0.93
NBZNITROBENZENEA,B3BGU0.93
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
3NT3-NITROTOLUENEA,B2BMR0.83
3NT3-NITROTOLUENEA,B2HMO0.83
NYLN-ALLYL-ANILINEA1OVK0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
URSN-PHENYLTHIOUREAA,B1BUG0.71
5AN3,5-DIFLUOROANILINEA1LGX0.82
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.75
NBENITROSOBENZENEA1LH71
NBENITROSOBENZENEA2LH71
NBENITROSOBENZENEA2NSS1
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.76
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.76
PL01-phenylguanidineA2O8W0.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.86
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7
1MRN-METHYLANILINEX2OTZ0.76