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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00581499

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3AB3-aminobenzamideA,B,C,D3GOY0.72
ANLANILINEA2OV40.77
ANLANILINEA1AEE0.77
ANLANILINEA1PPA0.77
ANLANILINEA1HJ90.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.77
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.78
ISOPARA-ISOPROPYLANILINEA,B1ELC0.78
ISOPARA-ISOPROPYLANILINEA,B1ELB0.78
ISOPARA-ISOPROPYLANILINEA,B1ELA0.78
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.77
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
PRY2-PROPYL-ANILINEA1OWY0.81
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
1AN2-FLUOROANILINEA1LGW0.81
34A3,4-DIMETHYLANILINEA1L4K0.8
5AN3,5-DIFLUOROANILINEA1LGX0.81
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.87
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.87
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.87
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.87
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.86
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74