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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02025546

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.78
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
URSN-PHENYLTHIOUREAA,B1BUG0.72
PRY2-PROPYL-ANILINEA1OWY0.72
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.7
1MRN-METHYLANILINEX2OTZ0.72
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.84
PHZ1-PHENYLHYDRAZINEA2E2T0.75
PHZ1-PHENYLHYDRAZINED,H2AGL0.75
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.81
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.81
NYLN-ALLYL-ANILINEA1OVK0.73
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
PL01-phenylguanidineA2O8W0.75
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
ANLANILINEA2OV40.81
ANLANILINEA1AEE0.81
ANLANILINEA1PPA0.81
ANLANILINEA1HJ90.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
5AN3,5-DIFLUOROANILINEA1LGX0.83
1AN2-FLUOROANILINEA1LGW0.83
BSU1,3-DIPHENYLUREAA3E850.7
BSU1,3-DIPHENYLUREAA2ZJF0.7
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
NBZNITROBENZENEA,B2BMQ0.7
NBZNITROBENZENEA,B3BGU0.7
264(phenylamino)acetonitrileA2RBN0.72