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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007656

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AN3,5-DIFLUOROANILINEA1LGX1
1AN2-FLUOROANILINEA1LGW0.97
ANLANILINEA2OV40.93
ANLANILINEA1AEE0.93
ANLANILINEA1PPA0.93
ANLANILINEA1HJ90.93
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.88
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.88
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.86
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.86
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.86
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.86
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.85
NBENITROSOBENZENEA1LH70.82
NBENITROSOBENZENEA2LH70.82
NBENITROSOBENZENEA2NSS0.82
PHZ1-PHENYLHYDRAZINEA2E2T0.82
PHZ1-PHENYLHYDRAZINED,H2AGL0.82
NIT4-NITROANILINEC,D1RMH0.79
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.79
NIT4-NITROANILINEB1VBS0.79
NIT4-NITROANILINEC1V9T0.79
NIT4-NITROANILINEC,D1VBT0.79
NIT4-NITROANILINEB1LOP0.79
NIT4-NITROANILINEC,D1ZKF0.79
NIT4-NITROANILINEB1PIP0.79
PRY2-PROPYL-ANILINEA1OWY0.79
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.79
1MRN-METHYLANILINEX2OTZ0.79
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.78
XYD2,5-DIMETHYLANILINEA1L4L0.78
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
NYLN-ALLYL-ANILINEA1OVK0.77
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76
34A3,4-DIMETHYLANILINEA1L4K0.76
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
URSN-PHENYLTHIOUREAA,B1BUG0.74
SANSULFANILAMIDEA1AJ00.74
PL01-phenylguanidineA2O8W0.74
264(phenylamino)acetonitrileA2RBN0.74
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
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
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.73
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.72
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.7
BSU1,3-DIPHENYLUREAA3E850.7
BSU1,3-DIPHENYLUREAA2ZJF0.7