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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00109617

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.73
SANSULFANILAMIDEA1AJ00.7
H186-CHLORO-4-(CYCLOHEXYLSULFINYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TL10.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.78
I7B4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDEA2POV0.73
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.71
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
SDA4-AMINO-3,5-DICHLOROBENZENESULFONAMIDEA1ZGE0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
34A3,4-DIMETHYLANILINEA1L4K0.7
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.74
PRY2-PROPYL-ANILINEA1OWY0.74
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.7
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.75
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.73
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2ONY0.75
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2ONZ0.75