MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03033951

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
2ML	2-METHYLLEUCINE	A,B,C	1I1L	0.84
2ML	2-METHYLLEUCINE	A	2RM9	0.84
2ML	2-METHYLLEUCINE	A	2RMD	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5Z	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	5GDS	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2A2X	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FEQ	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2ANK	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,C,D	3DPP	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1EB1	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1NZQ	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1HBT	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D6E	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B	1B3H	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FES	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	C,D,E,G,H	3DPQ	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1THS	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1QUR	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D	3DPO	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	4THN	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,D	1D5M	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1O0D	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1XRZ	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5X	0.73
DNE	D-NORLEUCINE	A	1R9V	0.76
DNE	D-NORLEUCINE	A,B	1S4A	0.76
DNE	D-NORLEUCINE	A,B	1S1O	0.76
IIL	ISO-ISOLEUCINE	A,B,C,D	1Q4V	0.76
IIL	ISO-ISOLEUCINE	A	1KMF	0.76
IIL	ISO-ISOLEUCINE	A,B,C	1TGG	0.76
IIL	ISO-ISOLEUCINE	A	1RH4	0.76
MCP	2-CARBOXY-4-METHYLPIPERIDINE	H	1ETR	0.72
DIL	D-ISOLEUCINE	A,B	2Q33	0.76
DIL	D-ISOLEUCINE	A	1CWZ	0.76
DIL	D-ISOLEUCINE	A	1CVQ	0.76
DIL	D-ISOLEUCINE	A	1C4B	0.76
DIL	D-ISOLEUCINE	A	1CW8	0.76
DIL	D-ISOLEUCINE	A	2AP8	0.76
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C	3HEZ	0.77
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C,D	3C3F	0.77
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3HF0	0.77
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3C3G	0.77
MNL	4,N-DIMETHYLNORLEUCINE	C	1CWC	0.74
LEF	(4S)-5-FLUORO-L-LEUCINE	A	1OGW	0.73
ABH	2(S)-AMINO-6-BORONOHEXANOIC ACID	A,B	1D3V	0.73
ABH	2(S)-AMINO-6-BORONOHEXANOIC ACID	A,B	2PLL	0.73
ABH	2(S)-AMINO-6-BORONOHEXANOIC ACID	A,B	3E6K	0.73
ABH	2(S)-AMINO-6-BORONOHEXANOIC ACID	A,B	3E6V	0.73
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EJX	0.73
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKE	0.73
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.73
NLE	NORLEUCINE	A	1MMT	0.76
NLE	NORLEUCINE	A,B	1JB6	0.76
NLE	NORLEUCINE	C	1K2B	0.76
NLE	NORLEUCINE	A,B,C	2AVQ	0.76
NLE	NORLEUCINE	C,D,I,L	1R1L	0.76
NLE	NORLEUCINE	E,S	2RLN	0.76
NLE	NORLEUCINE	E,S	1Z3L	0.76
NLE	NORLEUCINE	A,B,C	2AOD	0.76
NLE	NORLEUCINE	A,B,C	2J9J	0.76
NLE	NORLEUCINE	A,B,I	4HVP	0.76
NLE	NORLEUCINE	A,B,C	2AVM	0.76
NLE	NORLEUCINE	B,C	1K1T	0.76
NLE	NORLEUCINE	A,B,C	2AOC	0.76
NLE	NORLEUCINE	A,B,C	2JE4	0.76
NLE	NORLEUCINE	A,B,I	3DCK	0.76
NLE	NORLEUCINE	B	1EOL	0.76
NLE	NORLEUCINE	A	1FF0	0.76
NLE	NORLEUCINE	A	1FG6	0.76
NLE	NORLEUCINE	A	1FGC	0.76
NLE	NORLEUCINE	E,S	1Z3M	0.76
NLE	NORLEUCINE	A	2RME	0.76
NLE	NORLEUCINE	B	1FGL	0.76
NLE	NORLEUCINE	C	1K1U	0.76
NLE	NORLEUCINE	A,B	1B7H	0.76
NLE	NORLEUCINE	A	1HTH	0.76
NLE	NORLEUCINE	A,B,D	2J9K	0.76
NLE	NORLEUCINE	A	2RMD	0.76
NLE	NORLEUCINE	A,B,C	2AOG	0.76
NLE	NORLEUCINE	A	2RMI	0.76
NLE	NORLEUCINE	I	1EPO	0.76
NLE	NORLEUCINE	A	1FFI	0.76
NLE	NORLEUCINE	A	1HD9	0.76
NLE	NORLEUCINE	A	1FFF	0.76
NLE	NORLEUCINE	B	2JND	0.76
NLE	NORLEUCINE	A	1FEJ	0.76
NLE	NORLEUCINE	A	2K9E	0.76
NLE	NORLEUCINE	C	1CFN	0.76
NLE	NORLEUCINE	C	1K2C	0.76
NLE	NORLEUCINE	A	1WY4	0.76
NLE	NORLEUCINE	A	1FQ8	0.76
NLE	NORLEUCINE	A,B	1S1O	0.76
NLE	NORLEUCINE	A	2F4K	0.76
NLE	NORLEUCINE	A,B	1D5E	0.76
NLE	NORLEUCINE	A	2JX4	0.76
NLE	NORLEUCINE	A	1FG8	0.76
NLE	NORLEUCINE	A	1WY3	0.76
NLE	NORLEUCINE	I	1YTJ	0.76
NLE	NORLEUCINE	A,B,I	3DCR	0.76
NLE	NORLEUCINE	A,I	2O40	0.76
NLE	NORLEUCINE	A,B	2GYP	0.76
NLE	NORLEUCINE	C,F	1A8K	0.76
NLE	NORLEUCINE	C	1BAI	0.76
NLE	NORLEUCINE	A,B	2JT9	0.76
NLE	NORLEUCINE	A	2RM9	0.76
NLE	NORLEUCINE	A,B	1DAZ	0.76
NLE	NORLEUCINE	A	1F3R	0.76
NLE	NORLEUCINE	A,I	2JXR	0.76
NLE	NORLEUCINE	C,F	1A94	0.76
NLE	NORLEUCINE	A,B	1S4A	0.76
NLE	NORLEUCINE	A	1R9V	0.76
NLE	NORLEUCINE	A,B,C,D,E,F	2Z2T	0.76
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.73
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.73
DLE	D-LEUCINE	A,B	1ALZ	0.76
DLE	D-LEUCINE	A,B	1BDW	0.76
DLE	D-LEUCINE	A,D	1CZQ	0.76
DLE	D-LEUCINE	A	1BFW	0.76
DLE	D-LEUCINE	E,F,G,H	1XN2	0.76
DLE	D-LEUCINE	A,B,C,D	1GMK	0.76
DLE	D-LEUCINE	A,B	1TKQ	0.76
DLE	D-LEUCINE	A,B,C,H,K,L	2R5D	0.76
DLE	D-LEUCINE	A	2NPV	0.76
DLE	D-LEUCINE	A,B,C,D	2R3C	0.76
DLE	D-LEUCINE	B,D,E	1AFQ	0.76
DLE	D-LEUCINE	A,B	1MIC	0.76
DLE	D-LEUCINE	A,B	1NRU	0.76
DLE	D-LEUCINE	A,B	1JNO	0.76
DLE	D-LEUCINE	A,B	1GRM	0.76
DLE	D-LEUCINE	A,B	1NRM	0.76
DLE	D-LEUCINE	A,D	2Q3I	0.76
DLE	D-LEUCINE	A,B	1NT5	0.76
DLE	D-LEUCINE	A	2JUE	0.76
DLE	D-LEUCINE	A,B,C,D	1AV2	0.76
DLE	D-LEUCINE	A	1YY2	0.76
DLE	D-LEUCINE	A,B	1AL4	0.76
DLE	D-LEUCINE	A,B	1NG8	0.76
DLE	D-LEUCINE	A,B	1ALX	0.76
DLE	D-LEUCINE	A,B	1JO4	0.76
DLE	D-LEUCINE	A,B,C,H,K,L	2R5B	0.76
DLE	D-LEUCINE	A,B	1MAG	0.76
DLE	D-LEUCINE	A,B	1NT6	0.76
DLE	D-LEUCINE	A,B	2Q33	0.76
DLE	D-LEUCINE	A,B	1JO3	0.76
DLE	D-LEUCINE	E,I	1BLL	0.76
DLE	D-LEUCINE	A,B	1KQE	0.76
DLE	D-LEUCINE	A,B,C,D	1W5U	0.76
DLE	D-LEUCINE	A,B,C,D	2IZQ	0.76
DLE	D-LEUCINE	A	1C4B	0.76
DLE	D-LEUCINE	A,B,C,D	1C4D	0.76
C5A	(1S,3S)-1-aminocyclopentane-1,3- dicarboxylic acid	A,B	2E4W	0.82
AB5	2(S)-AMINO-6-BORONOHEXANOIC ACID	A,B	2AEB	0.71
C5B	(1S,3R)-1-AMINOCYCLOPENTANE-1,3- DICARBOXYLIC ACID	A,B	2E4X	0.82
AHP	2-AMINO-HEPTANOIC ACID	D	1J4X	0.72
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.74
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.74
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.74
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.74
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3HF0	0.8
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A,B,D,E,F	3FDM	0.8
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3C3H	0.8
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EKM	0.73
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKJ	0.73
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3H	0.77
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3G	0.77
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C,D	3C3F	0.77
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C	3HEZ	0.77
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,D,E,F	3FDM	0.77
DLY	D-LYSINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.73
DLY	D-LYSINE	A	1C4B	0.73
DLY	D-LYSINE	A,B,C,D	3BOG	0.73
DLY	D-LYSINE	A	1KO0	0.73
DLY	D-LYSINE	A,B,C,D	3C1P	0.73
DLY	D-LYSINE	A,B,C,H,K,L	2R5D	0.73
DLY	D-LYSINE	A,B,C,D	2R3C	0.73
DLY	D-LYSINE	A,B,C,H,K,L	2R5B	0.73
DLY	D-LYSINE	A,B	2Q33	0.73
DLY	D-LYSINE	A,B	2ATS	0.73
DLY	D-LYSINE	A	1RCQ	0.73
AC5	1-AMINOCYCLOPENTANECARBOXYLIC ACID	A,B	1Y1M	0.94
DIV	D-ISOVALINE	A	1IH9	0.72
DIV	D-ISOVALINE	A	1DLZ	0.72
DIV	D-ISOVALINE	A	1OB4	0.72
DIV	D-ISOVALINE	A,B	1JOH	0.72
DIV	D-ISOVALINE	A	1EE7	0.72
DIV	D-ISOVALINE	A,B	1OB6	0.72
DIV	D-ISOVALINE	A	1GQ0	0.72
DIV	D-ISOVALINE	A	1OB7	0.72
DIV	D-ISOVALINE	A	1R9U	0.72
MGN	2-METHYL-GLUTAMINE	A,B,C,D,E,F	1HBM	0.72
MGN	2-METHYL-GLUTAMINE	A,B,C,D,E,F	1HBN	0.72
MGN	2-METHYL-GLUTAMINE	A,B,C,D,E,F	1HBU	0.72
MGN	2-METHYL-GLUTAMINE	A,B,C,D,E,F	1HBO	0.72
MGN	2-METHYL-GLUTAMINE	A,C,D,F	1MRO	0.72
GAM	ALPHA-METHYL-L-GLUTAMIC ACID	A,B	1BJO	0.73
192	1-AMINOCYCLOBUTANECARBOXLIC ACID	A	1Y1Z	0.75