MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00586352

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.85
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.85
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.7
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.7
2CM	2-CHLORO-6-METHYL-ANILINE	A	1OVH	0.72
34A	3,4-DIMETHYLANILINE	A	1L4K	0.84
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.79
3NT	3-NITROTOLUENE	A,B	2BMR	0.73
3NT	3-NITROTOLUENE	A,B	2HMO	0.73
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.72
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.72
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.72
TFM	S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA	A,B	1K2U	0.77
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.86
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.86
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.86
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.86
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.74
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.74
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2BDI	0.74
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.74
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.74
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.74
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.74
ANL	ANILINE	A	2OV4	0.75
ANL	ANILINE	A	1AEE	0.75
ANL	ANILINE	A	1PPA	0.75
ANL	ANILINE	A	1HJ9	0.75
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.73
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.7
PRY	2-PROPYL-ANILINE	A	1OWY	0.84
U12	5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE	A	2GG2	0.76
I7C	4-AMINO-6-(TRIFLUOROMETHYL)BENZENE- 1,3-DISULFONAMIDE	A	2POW	0.71
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.71
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.82
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.82
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.82
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.82
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.81
1AN	2-FLUOROANILINE	A	1LGW	0.76
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.71
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.71
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.73
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.85
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.71
U19	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE	A	2GG5	0.75
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.76
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.79