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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00599552

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
BRNBERENILA,B268D0.79
BRNBERENILA,B1D630.79
BRNBERENILA,D,E2GBY0.79
BRNBERENILA2DBE0.79
BRNBERENILA2GVR0.79
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.84
XYD2,5-DIMETHYLANILINEA1L4L0.84
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
PBZP-AMINO BENZAMIDINEA,B2BDG0.75
PBZP-AMINO BENZAMIDINEA1RFN0.75
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.75
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.75
PBZP-AMINO BENZAMIDINEA1FIZ0.75
PBZP-AMINO BENZAMIDINEA1FIW0.75
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.75
34A3,4-DIMETHYLANILINEA1L4K0.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
PRY2-PROPYL-ANILINEA1OWY0.81
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.72
9AP9-AMINOPHENANTHRENEA1EGY0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78