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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052409

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.7
ANCANTHRACEN-1-YLAMINEA,B1HN20.7
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.71
1AN2-FLUOROANILINEA1LGW0.7
8171-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-
3-TRIFLUOROMETHYL-BENZENE
A2ANO0.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
ISOPARA-ISOPROPYLANILINEA1BMA0.78
ISOPARA-ISOPROPYLANILINEA,B1ELC0.78
ISOPARA-ISOPROPYLANILINEA,B1ELB0.78
ISOPARA-ISOPROPYLANILINEA,B1ELA0.78
5AN3,5-DIFLUOROANILINEA1LGX0.7
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.73
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.84
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.8
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.8
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.73
PRY2-PROPYL-ANILINEA1OWY0.8
34A3,4-DIMETHYLANILINEA1L4K0.76
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79