Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00001800

Ligand	Ligand name	Chain	PDB	Tanimoto
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.74
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.72
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.72
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.72
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
DMB		A,B	1SRI	0.72
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.8
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.75
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.75
HAB		A,B	1SRE	0.73
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.7
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.7
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.7
NIY	META-NITRO-TYROSINE	A	2ADP	0.89
NIY	META-NITRO-TYROSINE	A	3DIV	0.89
NIY	META-NITRO-TYROSINE	A	2H5U	0.89
NIY	META-NITRO-TYROSINE	A	1K4Q	0.89
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.89
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.82
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.71
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.71
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.71
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.71
DTY	D-TYROSINE	A	1C4B	0.71
DTY	D-TYROSINE	A,L	1ZEA	0.71
DTY	D-TYROSINE	A,B,C,D,E,F,G,H	1OF6	0.71
DTY	D-TYROSINE	A,B	1UNO	0.71
DTY	D-TYROSINE	A	2IGZ	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.71
DTY	D-TYROSINE	A,B	2Q33	0.71
DTY	D-TYROSINE	H,S	2H9E	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.71
DTY	D-TYROSINE	A	2IH0	0.71
DTY	D-TYROSINE	A	1D7T	0.71
DTY	D-TYROSINE	A,B	1XA0	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.76
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F,G,H	1W7R	0.76
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F,G,H,I,J,K,L	1W7Q	0.76
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	1
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.71
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
NPC	4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION	H,I,J	1A6V	0.86
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE	A,B	1T47	0.73
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.77
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL	A,B,C,D	1PX0	0.72
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL	A,B,C,D	2ZHM	0.72
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL	A	2ZHN	0.72
DNF	2,4-DINITROPHENOL	A,B	2B16	0.76
DNF	2,4-DINITROPHENOL	H,J,L,N	1OAU	0.76
DNF	2,4-DINITROPHENOL	A	1GVO	0.76
DNF	2,4-DINITROPHENOL	A,B	2B15	0.76
DNF	2,4-DINITROPHENOL	A,B	2B14	0.76
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.81
LVS	4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X	1KYI	0.72
LVS	4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE	A,B,C,G,H,I,L,M,N	1OFI	0.72
BPN	PARANITROBENZYL ALCOHOL	H,L	1YEG	0.73
2TY	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE	A,B	2CWV	0.71
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.72
P28	3',5'-DINITRO-N-ACETYL-L-THYRONINE	A,B	2ROY	0.71
MTB		A,B	1SRF	0.71
4NC	4-NITROCATECHOL	A	1NO3	0.71
4NC	4-NITROCATECHOL	B	2BUU	0.71
4NC	4-NITROCATECHOL	B	2BUZ	0.71
4NC	4-NITROCATECHOL	B	1EOC	0.71
DNT	2-[1-METHYLHEXYL]-4,6-DINITROPHENOL	A,B,C	1NEN	0.78
2AC	2-AMINO-P-CRESOL	H,I	1A2C	0.75
2AC	2-AMINO-P-CRESOL	A	1L4M	0.75
BRS	2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL	A,B,D,M,N,O,P	1KFY	0.73
MHB		A,B	1SRG	0.73
247	(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid	A,B	2QVE	0.72
ANX	2,5-DINITROPHENOL	A,B,C,D,E,F,G,H	2BFG	0.78
BIA	1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE	A	1H1D	0.7
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.76
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.76
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.74
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.74
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.74
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.74
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.74
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F,G,H,I,J,K,L	1W7Q	0.76
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F,G,H	1W7R	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.76
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.71
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.71
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.84
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.7
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.73
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.7
MTY	META-TYROSINE	A	2TOH	0.71
MTY	META-TYROSINE	A,B	1BIQ	0.71
MTY	META-TYROSINE	A	1Q7O	0.71
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.76
NPE	5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID	H	1GAF	0.74
NPE	5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID	H	1AJ7	0.74
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.81
DNC	3,5-DINITROCATECHOL	A	3BWY	0.72
DNC	3,5-DINITROCATECHOL	A	3BWM	0.72
DNC	3,5-DINITROCATECHOL	A	1VID	0.72
TNF	PICRIC ACID	A	1GVS	0.73
TNF	PICRIC ACID	X	1VYP	0.73
TNF	PICRIC ACID	A	1VYR	0.73
TNF	PICRIC ACID	X	1VYS	0.73
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.71
NIP	4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION	H	1A6W	0.83
MNX	1,8-DI-HYDROXY-4-NITRO-XANTHEN-9-ONE	A	1M2Q	0.71
NCR	2-NITRO-P-CRESOL	A,B	1AHV	0.85
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.7
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.7
MR2	3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE	A	1TSM	0.73
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.82