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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03450627

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NYLN-ALLYL-ANILINEA1OVK0.8
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.75
SANSULFANILAMIDEA1AJ00.78
PHZ1-PHENYLHYDRAZINEA2E2T0.86
PHZ1-PHENYLHYDRAZINED,H2AGL0.86
264(phenylamino)acetonitrileA2RBN0.82
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.79
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.77
PL01-phenylguanidineA2O8W0.79
34A3,4-DIMETHYLANILINEA1L4K0.77
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.89
3NT3-NITROTOLUENEA,B2BMR0.7
3NT3-NITROTOLUENEA,B2HMO0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.8
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.8
NINDINITROPHENYLENEA1RSM0.76
NINDINITROPHENYLENEA1GVY0.76
NINDINITROPHENYLENEA1GW10.76
1MRN-METHYLANILINEX2OTZ0.83
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.76
ANLANILINEA2OV40.94
ANLANILINEA1AEE0.94
ANLANILINEA1PPA0.94
ANLANILINEA1HJ90.94
BSU1,3-DIPHENYLUREAA3E850.75
BSU1,3-DIPHENYLUREAA2ZJF0.75
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.78
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
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.81
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.78
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.89
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.77
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.77
5AN3,5-DIFLUOROANILINEA1LGX0.88
PRY2-PROPYL-ANILINEA1OWY0.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.79
NBZNITROBENZENEA,B2BMQ0.78
NBZNITROBENZENEA,B3BGU0.78
NBENITROSOBENZENEA1LH70.84
NBENITROSOBENZENEA2LH70.84
NBENITROSOBENZENEA2NSS0.84
URSN-PHENYLTHIOUREAA,B1BUG0.8
1AN2-FLUOROANILINEA1LGW0.9
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79
NIT4-NITROANILINEC,D1RMH0.85
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.85
NIT4-NITROANILINEB1VBS0.85
NIT4-NITROANILINEC1V9T0.85
NIT4-NITROANILINEC,D1VBT0.85
NIT4-NITROANILINEB1LOP0.85
NIT4-NITROANILINEC,D1ZKF0.85
NIT4-NITROANILINEB1PIP0.85