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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00051144

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
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.7
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.79
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.84
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.87
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
5AN3,5-DIFLUOROANILINEA1LGX0.82
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
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.79
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
3AB3-aminobenzamideA,B,C,D3GOY0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
9AP9-AMINOPHENANTHRENEA1EGY0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.83
XYD2,5-DIMETHYLANILINEA1L4L0.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.88
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.88
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.88
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.88
34A3,4-DIMETHYLANILINEA1L4K0.79
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.83
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
PRY2-PROPYL-ANILINEA1OWY0.82
1AN2-FLUOROANILINEA1LGW0.8