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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02198714

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
SANSULFANILAMIDEA1AJ00.78
URSN-PHENYLTHIOUREAA,B1BUG0.72
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.71
ANLANILINEA2OV40.7
ANLANILINEA1AEE0.7
ANLANILINEA1PPA0.7
ANLANILINEA1HJ90.7
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.77
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.73
264(phenylamino)acetonitrileA2RBN0.76
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.72
OSPSULTHIAMEA2Q1Q0.85
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.75
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.87
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.7
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.74
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
1MRN-METHYLANILINEX2OTZ0.8
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.7
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.72
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.72
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.72
BSU1,3-DIPHENYLUREAA3E850.7
BSU1,3-DIPHENYLUREAA2ZJF0.7
NYLN-ALLYL-ANILINEA1OVK0.78
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.75