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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03172192

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.78
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.84
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.8
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.81
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.76
34A3,4-DIMETHYLANILINEA1L4K0.75
5AN3,5-DIFLUOROANILINEA1LGX0.74
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.8
SANSULFANILAMIDEA1AJ00.85
1MRN-METHYLANILINEX2OTZ0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.7
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.7
NYLN-ALLYL-ANILINEA1OVK0.71
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.72
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.74
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
OSPSULTHIAMEA2Q1Q0.74
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.81
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.72
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
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
1AN2-FLUOROANILINEA1LGW0.76
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.77
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.77
NBZNITROBENZENEA,B2BMQ0.7
NBZNITROBENZENEA,B3BGU0.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.7
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.7
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.7
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.7
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.7