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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02332235

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
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.71
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.92
PHZ1-PHENYLHYDRAZINEA2E2T0.77
PHZ1-PHENYLHYDRAZINED,H2AGL0.77
URSN-PHENYLTHIOUREAA,B1BUG0.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.72
NIT4-NITROANILINEC,D1RMH0.76
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.76
NIT4-NITROANILINEB1VBS0.76
NIT4-NITROANILINEC1V9T0.76
NIT4-NITROANILINEC,D1VBT0.76
NIT4-NITROANILINEB1LOP0.76
NIT4-NITROANILINEC,D1ZKF0.76
NIT4-NITROANILINEB1PIP0.76
1MRN-METHYLANILINEX2OTZ0.73
I7B4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDEA2POV0.77
1AN2-FLUOROANILINEA1LGW0.78
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.83
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.75
264(phenylamino)acetonitrileA2RBN0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
PRY2-PROPYL-ANILINEA1OWY0.73
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.75
NYLN-ALLYL-ANILINEA1OVK0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.84
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
SANSULFANILAMIDEA1AJ00.93
34A3,4-DIMETHYLANILINEA1L4K0.7
OSPSULTHIAMEA2Q1Q0.76
NINDINITROPHENYLENEA1RSM0.71
NINDINITROPHENYLENEA1GVY0.71
NINDINITROPHENYLENEA1GW10.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.84
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.78
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.76
SDA4-AMINO-3,5-DICHLOROBENZENESULFONAMIDEA1ZGE0.75
ANLANILINEA2OV40.81
ANLANILINEA1AEE0.81
ANLANILINEA1PPA0.81
ANLANILINEA1HJ90.81
NBZNITROBENZENEA,B2BMQ0.73
NBZNITROBENZENEA,B3BGU0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
5AN3,5-DIFLUOROANILINEA1LGX0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.75
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.73
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71