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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02879429

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
34A3,4-DIMETHYLANILINEA1L4K0.84
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.75
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.75
PBZP-AMINO BENZAMIDINEA,B2BDG0.72
PBZP-AMINO BENZAMIDINEA1RFN0.72
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.72
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.72
PBZP-AMINO BENZAMIDINEA1FIZ0.72
PBZP-AMINO BENZAMIDINEA1FIW0.72
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.72
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.7
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.72
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.91
ANCANTHRACEN-1-YLAMINEA,B1HN20.91
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.8
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
9AP9-AMINOPHENANTHRENEA1EGY0.92
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.77
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.8
XYD2,5-DIMETHYLANILINEA1L4L0.8
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.8
PRY2-PROPYL-ANILINEA1OWY0.81
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.77
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.75
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72