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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00059131

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AN3,5-DIFLUOROANILINEA1LGX0.96
1AN2-FLUOROANILINEA1LGW0.93
ANLANILINEA2OV40.89
ANLANILINEA1AEE0.89
ANLANILINEA1PPA0.89
ANLANILINEA1HJ90.89
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.84
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.84
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.83
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.83
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.81
PHZ1-PHENYLHYDRAZINEA2E2T0.81
PHZ1-PHENYLHYDRAZINED,H2AGL0.81
NIT4-NITROANILINEC,D1RMH0.8
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.8
NIT4-NITROANILINEB1VBS0.8
NIT4-NITROANILINEC1V9T0.8
NIT4-NITROANILINEC,D1VBT0.8
NIT4-NITROANILINEB1LOP0.8
NIT4-NITROANILINEC,D1ZKF0.8
NIT4-NITROANILINEB1PIP0.8
NBENITROSOBENZENEA1LH70.79
NBENITROSOBENZENEA2LH70.79
NBENITROSOBENZENEA2NSS0.79
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
PRY2-PROPYL-ANILINEA1OWY0.76
1MRN-METHYLANILINEX2OTZ0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.74
URSN-PHENYLTHIOUREAA,B1BUG0.74
SANSULFANILAMIDEA1AJ00.74
NBZNITROBENZENEA,B2BMQ0.74
NBZNITROBENZENEA,B3BGU0.74
NYLN-ALLYL-ANILINEA1OVK0.74
264(phenylamino)acetonitrileA2RBN0.74
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.73
34A3,4-DIMETHYLANILINEA1L4K0.73
PL01-phenylguanidineA2O8W0.73
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
NINDINITROPHENYLENEA1RSM0.72
NINDINITROPHENYLENEA1GVY0.72
NINDINITROPHENYLENEA1GW10.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.72
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.7
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.7