MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00017795

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
3NT	3-NITROTOLUENE	A,B	2BMR	0.84
3NT	3-NITROTOLUENE	A,B	2HMO	0.84
NBE	NITROSOBENZENE	A	1LH7	0.71
NBE	NITROSOBENZENE	A	2LH7	0.71
NBE	NITROSOBENZENE	A	2NSS	0.71
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.73
34A	3,4-DIMETHYLANILINE	A	1L4K	0.74
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.74
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.74
4NM	4-NITROPHENYL METHANETHIOL	A,B	2VO4	0.78
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.74
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.74
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.74
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.74
NPB	3-NITROPHENYLBORONIC ACID	A,B	1KDS	0.75
PRY	2-PROPYL-ANILINE	A	1OWY	0.73
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.8
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.72
NIT	4-NITROANILINE	C,D	1RMH	0.8
NIT	4-NITROANILINE	A,B,D,F,G,H,I	2IXP	0.8
NIT	4-NITROANILINE	B	1VBS	0.8
NIT	4-NITROANILINE	C	1V9T	0.8
NIT	4-NITROANILINE	C,D	1VBT	0.8
NIT	4-NITROANILINE	B	1LOP	0.8
NIT	4-NITROANILINE	C,D	1ZKF	0.8
NIT	4-NITROANILINE	B	1PIP	0.8
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.85
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.85
NIN	DINITROPHENYLENE	A	1RSM	0.74
NIN	DINITROPHENYLENE	A	1GVY	0.74
NIN	DINITROPHENYLENE	A	1GW1	0.74
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.77
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.71
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.71
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2BDI	0.71
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.71
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.71
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.71
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.71
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.76
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.8
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.72
NBZ	NITROBENZENE	A,B	2BMQ	0.77
NBZ	NITROBENZENE	A,B	3BGU	0.77
PND	P-NITROPHENYLHYDRAZINE	A,G	1JMZ	0.75
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.72