MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00047115

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
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.71
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3GT4	0.74
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3T	0.74
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3D	0.74
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3S	0.74
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E79	0.74
IBR		A	9EST	0.71
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.82
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.7
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.83
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.83
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.83
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.83
NID	4-NITRO-INDEN-1-ONE	A,B	1DOH	0.75
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.87
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.8
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.74
NIY	META-NITRO-TYROSINE	A	2ADP	0.7
NIY	META-NITRO-TYROSINE	A	3DIV	0.7
NIY	META-NITRO-TYROSINE	A	2H5U	0.7
NIY	META-NITRO-TYROSINE	A	1K4Q	0.7
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.7
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.74
BPN	PARANITROBENZYL ALCOHOL	H,L	1YEG	0.73
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.81
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.81
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.81
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.78
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.78
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.78
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.78
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.78
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.78
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.78
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.78
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.78
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.78
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.78
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.78
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.78
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.78
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.78
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.78
HAB		A,B	1SRE	0.71
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.73
MHB		A,B	1SRG	0.7
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.71