MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00617531

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
DPA		A,B	1PIK	0.7
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.71
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.73
ACJ	5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]- 2-NITROBENZOIC ACID	A,B	2IVD	0.75
DMB		A,B	1SRI	0.7
J15	N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)- ALPHA-BENZAMIDE	D,E,F,G,H	1PZJ	0.71
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.72
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.7
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.7
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,C,D,I,J, K,L	3EWF	0.73
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,I,L	2V5W	0.73
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	B	1VDN	0.73
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	C	1VAI	0.73
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.71
MOB		A,B	1SRH	0.74
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A,B	1IVD	0.75
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A	1IVB	0.75
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.74
15B	N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)- BETA-BENZAMIDE	D,E,F,G,H	1PZJ	0.71
FNG	5-AMINOCARBONYL-3-NITROPHENYL-ALPHA- D-GALACTOPYRANOSE	D,E,F,G,H	1LLR	0.8
MNX	1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE	A	1M2Q	0.7
9AR	9-HYDROXY ARISTOLOCHIC ACID	A,B	1FV0	0.72
A32	(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE	D,E,F,G,H,L, M,O,P,V,W,X, Y,Z	1JQY	0.71
B23	5-(2-NITROPHENYL)-2-FUROIC ACID	A	2Q92	0.74
MR2	3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSM	0.7
A24	(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE	D,E,F,G,H	1JR0	0.71
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.74
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.7
194	4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID	A	1Z6P	0.71
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.71
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.71
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.71
MHB		A,B	1SRG	0.72
A05	5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID	A	2Q95	0.7
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.71
HAB		A,B	1SRE	0.71
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.71
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.75