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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03083250

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
URSN-PHENYLTHIOUREAA,B1BUG0.77
SANSULFANILAMIDEA1AJ00.77
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.77
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
34A3,4-DIMETHYLANILINEA1L4K0.77
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.78
XYD2,5-DIMETHYLANILINEA1L4L0.78
NIT4-NITROANILINEC,D1RMH0.82
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.82
NIT4-NITROANILINEB1VBS0.82
NIT4-NITROANILINEC1V9T0.82
NIT4-NITROANILINEC,D1VBT0.82
NIT4-NITROANILINEB1LOP0.82
NIT4-NITROANILINEC,D1ZKF0.82
NIT4-NITROANILINEB1PIP0.82
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
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
PL01-phenylguanidineA2O8W0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.89
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.78
PHZ1-PHENYLHYDRAZINEA2E2T0.85
PHZ1-PHENYLHYDRAZINED,H2AGL0.85
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.83
ANLANILINEA2OV40.94
ANLANILINEA1AEE0.94
ANLANILINEA1PPA0.94
ANLANILINEA1HJ90.94
PRY2-PROPYL-ANILINEA1OWY0.79
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.81
NBZNITROBENZENEA,B2BMQ0.85
NBZNITROBENZENEA,B3BGU0.85
NBENITROSOBENZENEA1LH70.91
NBENITROSOBENZENEA2LH70.91
NBENITROSOBENZENEA2NSS0.91
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.89
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
5AN3,5-DIFLUOROANILINEA1LGX0.87
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
1MRN-METHYLANILINEX2OTZ0.79
NYLN-ALLYL-ANILINEA1OVK0.78
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.75
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
264(phenylamino)acetonitrileA2RBN0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.79
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.79
NINDINITROPHENYLENEA1RSM0.82
NINDINITROPHENYLENEA1GVY0.82
NINDINITROPHENYLENEA1GW10.82
1AN2-FLUOROANILINEA1LGW0.9
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76