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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03218364

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.79
ANCANTHRACEN-1-YLAMINEA,B1GT10.89
ANCANTHRACEN-1-YLAMINEA,B1HN20.89
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
34A3,4-DIMETHYLANILINEA1L4K0.86
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
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
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.83
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
BRNBERENILA,B268D0.74
BRNBERENILA,B1D630.74
BRNBERENILA,D,E2GBY0.74
BRNBERENILA2DBE0.74
BRNBERENILA2GVR0.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
PRY2-PROPYL-ANILINEA1OWY0.83
9AP9-AMINOPHENANTHRENEA1EGY0.9
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.79