MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00494145

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
NPO	P-NITROPHENOL	A,B	1Z44	0.73
NPO	P-NITROPHENOL	X	2ZYW	0.73
NPO	P-NITROPHENOL	H,L	1YEK	0.73
NPO	P-NITROPHENOL	A,C,E,G	43CA	0.73
NPO	P-NITROPHENOL	A	1LS6	0.73
NPO	P-NITROPHENOL	X	2ZVP	0.73
NPO	P-NITROPHENOL	A,B	2I10	0.73
NPO	P-NITROPHENOL	A	1VAH	0.73
NPO	P-NITROPHENOL	A,B	3ETT	0.73
NPO	P-NITROPHENOL	A,B	2D20	0.73
NPO	P-NITROPHENOL	X	2ZYV	0.73
EPN	3-(4-NITRO-PHENOXY)-PROPAN-1-OL	A	2SAM	0.82
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,C,D,I,J, K,L	3EWF	0.77
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,I,L	2V5W	0.77
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	B	1VDN	0.77
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	C	1VAI	0.77
PNP	METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER	A,B,D,F	1KNO	0.71
PNP	METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER	A	1ZED	0.71
MNX	1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE	A	1M2Q	0.72
NPJ	4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL- ALPHA-D-GALACTOPYRANOSIDE	A,B,C	2GGX	0.72
RNO	(R)-PARA-NITROSTYRENE OXIDE	A,B,C,D	1ZMT	0.74
KHP	2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)- TETRAHYDRO-FURAN-3,4-DIOL	A,B	1QW9	0.73
4BG	N-[4-(benzyloxy)phenyl]glycinamide	A	3CHO	0.71
DNT	2-[1-METHYLHEXYL]-4,6-DINITROPHENOL	A,B,C	1NEN	0.72
B4N	bis(4-nitrophenyl) hydrogen phosphate	A	3DH8	0.72
SNO	(S)-PARA-NITROSTYRENE OXIDE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1ZO8	0.74
4NS	4-nitrophenyl sulfate	X	2ZYU	0.73
147	1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE	A,B,C	1KRV	0.73
147	1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE	A,B,C,D	1JYW	0.73
PNG	4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE	A	2ZOX	0.73
PNG	4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE	A,B,C,D	1VAL	0.73
NCR	2-NITRO-P-CRESOL	A,B	1AHV	0.74
4BS	4-amino-N-[4-(benzyloxy)phenyl]butanamide	A	3CHR	0.71
NIM	4-NITRO-2-PHENOXYMETHANESULFONANILIDE	A	1ZWP	0.71
NIM	4-NITRO-2-PHENOXYMETHANESULFONANILIDE	A	3E9X	0.71
NIM	4-NITRO-2-PHENOXYMETHANESULFONANILIDE	A	2OTH	0.71
4NP	4-NITROPHENYL PHOSPHATE	A,B	1D1Q	0.72
4NP	4-NITROPHENYL PHOSPHATE	A,B	1VE7	0.72
4NP	4-NITROPHENYL PHOSPHATE	A	2I6P	0.72
ROS	N,N'-TETRAMETHYL-ROSAMINE	A	1F1T	0.72
PNA	4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE	A,B,C,D	1VAM	0.73
CFQ	1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine	A,B	2V97	0.73
CFQ	1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine	A,B	2V98	0.73
CFQ	1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine	A,B	2V96	0.73