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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00059132

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.83
34A3,4-DIMETHYLANILINEA1L4K0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.84
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.84
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.84
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.84
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
PRY2-PROPYL-ANILINEA1OWY0.77
NIT4-NITROANILINEC,D1RMH0.81
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.81
NIT4-NITROANILINEB1VBS0.81
NIT4-NITROANILINEC1V9T0.81
NIT4-NITROANILINEC,D1VBT0.81
NIT4-NITROANILINEB1LOP0.81
NIT4-NITROANILINEC,D1ZKF0.81
NIT4-NITROANILINEB1PIP0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
NBENITROSOBENZENEA1LH70.8
NBENITROSOBENZENEA2LH70.8
NBENITROSOBENZENEA2NSS0.8
1MRN-METHYLANILINEX2OTZ0.77
SANSULFANILAMIDEA1AJ00.75
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
5AN3,5-DIFLUOROANILINEA1LGX0.97
URSN-PHENYLTHIOUREAA,B1BUG0.75
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
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.85
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
264(phenylamino)acetonitrileA2RBN0.75
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
PL01-phenylguanidineA2O8W0.74
NYLN-ALLYL-ANILINEA1OVK0.75
1AN2-FLUOROANILINEA1LGW0.94
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.85
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.79
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
PHZ1-PHENYLHYDRAZINEA2E2T0.82
PHZ1-PHENYLHYDRAZINED,H2AGL0.82
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73
ANLANILINEA2OV40.9
ANLANILINEA1AEE0.9
ANLANILINEA1PPA0.9
ANLANILINEA1HJ90.9