MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005345

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
NIY	META-NITRO-TYROSINE	A	2ADP	0.84
NIY	META-NITRO-TYROSINE	A	3DIV	0.84
NIY	META-NITRO-TYROSINE	A	2H5U	0.84
NIY	META-NITRO-TYROSINE	A	1K4Q	0.84
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.84
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.77
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.77
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.72
NCR	2-NITRO-P-CRESOL	A,B	1AHV	0.81
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.77
MNX	1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE	A	1M2Q	0.75
2TY	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE	A,B	2CWV	0.72
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.74
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.74
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.74
MTB		A,B	1SRF	0.73
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.72
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.81
NPC	4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION	H,I,J	1A6V	0.78
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A,B	1IVD	0.74
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A	1IVB	0.74
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.78
NIP	4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION	H	1A6W	0.75
HAB		A,B	1SRE	0.77
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.76
NPO	P-NITROPHENOL	A,B	1Z44	0.72
NPO	P-NITROPHENOL	X	2ZYW	0.72
NPO	P-NITROPHENOL	H,L	1YEK	0.72
NPO	P-NITROPHENOL	A,C,E,G	43CA	0.72
NPO	P-NITROPHENOL	A	1LS6	0.72
NPO	P-NITROPHENOL	X	2ZVP	0.72
NPO	P-NITROPHENOL	A,B	2I10	0.72
NPO	P-NITROPHENOL	A	1VAH	0.72
NPO	P-NITROPHENOL	A,B	3ETT	0.72
NPO	P-NITROPHENOL	A,B	2D20	0.72
NPO	P-NITROPHENOL	X	2ZYV	0.72
DMB		A,B	1SRI	0.75
194	4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID	A	1Z6P	0.72
TNF	PICRIC ACID	A	1GVS	0.72
TNF	PICRIC ACID	X	1VYP	0.72
TNF	PICRIC ACID	A	1VYR	0.72
TNF	PICRIC ACID	X	1VYS	0.72
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.73
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.73
DNF	2,4-DINITROPHENOL	A,B	2B16	0.74
DNF	2,4-DINITROPHENOL	H,J,L,N	1OAU	0.74
DNF	2,4-DINITROPHENOL	A	1GVO	0.74
DNF	2,4-DINITROPHENOL	A,B	2B15	0.74
DNF	2,4-DINITROPHENOL	A,B	2B14	0.74
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.88
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.71
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.77
BIA	1-(3,4,DIHYDROXY-5-NITROPHENYL)- 3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN- 1-YL}PROPAN-1-ONE	A	1H1D	0.72
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.77
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.77
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.77
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.73
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.73
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.73
ANX	2,5-DINITROPHENOL	A,B,C,D,E,F, G,H	2BFG	0.72
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.73
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.73
NPE	5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID	H	1GAF	0.72
NPE	5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID	H	1AJ7	0.72
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.74
B23	5-(2-NITROPHENYL)-2-FUROIC ACID	A	2Q92	0.74
NAB		A,B	1SRJ	0.71
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.76
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.76
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.76
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFW	0.7
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFX	0.7
MHB		A,B	1SRG	0.77
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.7
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.74
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.79
MR2	3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSM	0.74
DNT	2-[1-METHYLHEXYL]-4,6-DINITROPHENOL	A,B,C	1NEN	0.74
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.79
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.73
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.73
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.73
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.73
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.73
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.73
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.73
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.73
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.73
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.73
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.73
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.71
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.71
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.71
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.71
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.71
2AC	2-AMINO-P-CRESOL	H,I	1A2C	0.72
2AC	2-AMINO-P-CRESOL	A	1L4M	0.72