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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00051367

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.89
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.89
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.89
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.89
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.78
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.75
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
ANLANILINEA2OV40.77
ANLANILINEA1AEE0.77
ANLANILINEA1PPA0.77
ANLANILINEA1HJ90.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.84
XYD2,5-DIMETHYLANILINEA1L4L0.84
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
1AN2-FLUOROANILINEA1LGW0.78
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.77
9AP9-AMINOPHENANTHRENEA1EGY0.74
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.8
PBZP-AMINO BENZAMIDINEA,B2BDG0.74
PBZP-AMINO BENZAMIDINEA1RFN0.74
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.74
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.74
PBZP-AMINO BENZAMIDINEA1FIZ0.74
PBZP-AMINO BENZAMIDINEA1FIW0.74
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.74
PRY2-PROPYL-ANILINEA1OWY0.85
ANCANTHRACEN-1-YLAMINEA,B1GT10.75
ANCANTHRACEN-1-YLAMINEA,B1HN20.75
5AN3,5-DIFLUOROANILINEA1LGX0.78
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.76
FBA4-FLUOROBENZYLAMINEA1TNH0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.79
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
34A3,4-DIMETHYLANILINEA1L4K0.8
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.86
271N-methyl-1-phenylmethanamineX2RBT0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74