MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00361115

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
BPN	PARANITROBENZYL ALCOHOL	H,L	1YEG	0.72
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.78
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.79
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.82
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.71
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.87
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.78
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.78
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	1PX0	0.7
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	2ZHM	0.7
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A	2ZHN	0.7
53N	3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid	A	3DN5	0.75
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.73
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.78
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.73
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.73
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.73
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
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.71
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.71
NID	4-NITRO-INDEN-1-ONE	A,B	1DOH	0.71
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.71
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.72
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.72
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.72
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.72
AAH		H	1KEL	0.73
AAH		B,H	1FL6	0.73
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.91
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.83
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
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.76
TNS		A,B,L	2G2R	0.72
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.73
L98	(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID	A,B,C	1ZG8	0.71