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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02666024

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,B2I5X0.76
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
1AN2-FLUOROANILINEA1LGW0.86
1MRN-METHYLANILINEX2OTZ0.73
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
SANSULFANILAMIDEA1AJ00.85
PRY2-PROPYL-ANILINEA1OWY0.73
5AN3,5-DIFLUOROANILINEA1LGX0.86
ANLANILINEA2OV40.84
ANLANILINEA1AEE0.84
ANLANILINEA1PPA0.84
ANLANILINEA1HJ90.84
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.76
NYLN-ALLYL-ANILINEA1OVK0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.74
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.86
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.85
NINDINITROPHENYLENEA1RSM0.71
NINDINITROPHENYLENEA1GVY0.71
NINDINITROPHENYLENEA1GW10.71
NBENITROSOBENZENEA1LH70.78
NBENITROSOBENZENEA2LH70.78
NBENITROSOBENZENEA2NSS0.78
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
NIT4-NITROANILINEC,D1RMH0.77
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.77
NIT4-NITROANILINEB1VBS0.77
NIT4-NITROANILINEC1V9T0.77
NIT4-NITROANILINEC,D1VBT0.77
NIT4-NITROANILINEB1LOP0.77
NIT4-NITROANILINEC,D1ZKF0.77
NIT4-NITROANILINEB1PIP0.77
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.7
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
URSN-PHENYLTHIOUREAA,B1BUG0.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.85
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.81
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.81
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
SDA4-AMINO-3,5-DICHLOROBENZENESULFONAMIDEA1ZGE0.7
34A3,4-DIMETHYLANILINEA1L4K0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7