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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002686

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.82
5AN3,5-DIFLUOROANILINEA1LGX0.74
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
SANSULFANILAMIDEA1AJ01
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.75
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.73
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.74
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.82
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.72
PHZ1-PHENYLHYDRAZINEA2E2T0.75
PHZ1-PHENYLHYDRAZINED,H2AGL0.75
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.75
SDA4-AMINO-3,5-DICHLOROBENZENESULFONAMIDEA1ZGE0.81
PRY2-PROPYL-ANILINEA1OWY0.71
I7B4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDEA2POV0.81
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.89
ANLANILINEA2OV40.79
ANLANILINEA1AEE0.79
ANLANILINEA1PPA0.79
ANLANILINEA1HJ90.79
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.78
URSN-PHENYLTHIOUREAA,B1BUG0.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.75
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.7
1AN2-FLUOROANILINEA1LGW0.76
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.99
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.72
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.79
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.75
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.75
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.82
OSPSULTHIAMEA2Q1Q0.8
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
NIT4-NITROANILINEC,D1RMH0.75
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.75
NIT4-NITROANILINEB1VBS0.75
NIT4-NITROANILINEC1V9T0.75
NIT4-NITROANILINEC,D1VBT0.75
NIT4-NITROANILINEB1LOP0.75
NIT4-NITROANILINEC,D1ZKF0.75
NIT4-NITROANILINEB1PIP0.75
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)
A,B3BGC0.71
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.74
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
1MRN-METHYLANILINEX2OTZ0.71