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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01022928

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.74
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.86
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2ONY0.71
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2ONZ0.71
34A3,4-DIMETHYLANILINEA1L4K0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.7
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.7
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.72
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.77
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.83
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.74
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.7
OSPSULTHIAMEA2Q1Q0.74
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.73
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.79
PRY2-PROPYL-ANILINEA1OWY0.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.71
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2R430.75
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2PWC0.75
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2R3W0.75
I7B4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDEA2POV0.76
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.72
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.78
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.76
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.78
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE
A2BU60.7
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)
A,B3BGC0.79
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.72
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID
A1B8Y0.7
SANSULFANILAMIDEA1AJ00.82
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.81
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.7
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.7
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.7
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.73