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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02406590

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.7
5AN3,5-DIFLUOROANILINEA1LGX0.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.74
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.74
1AN2-FLUOROANILINEA1LGW0.78
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.79
264(phenylamino)acetonitrileA2RBN0.71
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.73
34A3,4-DIMETHYLANILINEA1L4K0.77
PHZ1-PHENYLHYDRAZINEA2E2T0.74
PHZ1-PHENYLHYDRAZINED,H2AGL0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
PL01-phenylguanidineA2O8W0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.76
MGRMALACHITE GREENA,B3BQZ0.76
MGRMALACHITE GREENA1Q8N0.76
MGRMALACHITE GREENA,B3BR00.76
MGRMALACHITE GREENA,D,E3BTL0.76
MGRMALACHITE GREENA,B,D,E3BTC0.76
MGRMALACHITE GREENA,B,D,E1JUP0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.79
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
NBZNITROBENZENEA,B2BMQ0.74
NBZNITROBENZENEA,B3BGU0.74
NBENITROSOBENZENEA1LH70.78
NBENITROSOBENZENEA2LH70.78
NBENITROSOBENZENEA2NSS0.78
NYLN-ALLYL-ANILINEA1OVK0.74
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
ANLANILINEA2OV40.81
ANLANILINEA1AEE0.81
ANLANILINEA1PPA0.81
ANLANILINEA1HJ90.81
PRY2-PROPYL-ANILINEA1OWY0.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.77
1MRN-METHYLANILINEX2OTZ0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79