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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003319

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.74
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.73
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.71
1AN2-FLUOROANILINEA1LGW0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.82
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.75
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
SANSULFANILAMIDEA1AJ00.73
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
5AN3,5-DIFLUOROANILINEA1LGX0.77
34A3,4-DIMETHYLANILINEA1L4K0.78
PBZP-AMINO BENZAMIDINEA,B2BDG0.73
PBZP-AMINO BENZAMIDINEA1RFN0.73
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.73
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.73
PBZP-AMINO BENZAMIDINEA1FIZ0.73
PBZP-AMINO BENZAMIDINEA1FIW0.73
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.8
XYD2,5-DIMETHYLANILINEA1L4L0.8
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.76
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
PRY2-PROPYL-ANILINEA1OWY0.79
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.87
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.87
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.87
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.87
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.83
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.74