MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004068

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
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EJX	0.78
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKE	0.78
API	2,6-DIAMINOPIMELIC ACID	A,B	1E8C	0.77
API	2,6-DIAMINOPIMELIC ACID	A	2DAP	0.77
API	2,6-DIAMINOPIMELIC ACID	E,S	148L	0.77
6CL	6-CARBOXYLYSINE	U	2AIZ	0.77
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	1QJ3	0.7
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B,C,D	3FMI	0.7
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	3DU4	0.7
PB1	3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID	A,B	1PV8	0.71
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5Z	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	5GDS	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2A2X	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FEQ	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2ANK	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,C,D	3DPP	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1EB1	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1NZQ	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1HBT	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D6E	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B	1B3H	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FES	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	C,D,E,G,H	3DPQ	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1THS	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1QUR	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D	3DPO	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	4THN	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,D	1D5M	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1O0D	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1XRZ	0.84
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5X	0.84
NPI	2-AMINOPIMELIC ACID	A	2TDT	0.78
NPI	2-AMINOPIMELIC ACID	A	1KGQ	0.78
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.84
IKT	3-(1-AMINOETHYL)NONANEDIOIC ACID	A	1DAE	0.71
DHH	(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACID	A,B,C	1T5F	0.72
2ML	2-METHYLLEUCINE	A,B,C	1I1L	0.77
2ML	2-METHYLLEUCINE	A	2RM9	0.77
2ML	2-METHYLLEUCINE	A	2RMD	0.77
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
C5B	(1S,3R)-1-AMINOCYCLOPENTANE-1,3- DICARBOXYLIC ACID	A,B	2E4X	0.7
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COJ	0.74
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B,C	2EJ3	0.74
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2A1H	0.74
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COI	0.74
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A	3C3G	0.71
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C	2OXJ	0.71
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C,D	3C3F	0.71
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C	3HEZ	0.71
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A	2OXK	0.71
26P	2-AMINO-6-OXOPIMELIC ACID	A	3TDT	0.7
C5A	(1S,3S)-1-aminocyclopentane-1,3- dicarboxylic acid	A,B	2E4W	0.7
AB5	2(S)-AMINO-6-BORONOHEXANOIC ACID	A,B	2AEB	0.71
GAM	ALPHA-METHYL-L-GLUTAMIC ACID	A,B	1BJO	0.7
AHP	2-AMINO-HEPTANOIC ACID	D	1J4X	0.78
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C	3HEZ	0.71
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C,D	3C3F	0.71
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3HF0	0.71
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3C3G	0.71
NLE	NORLEUCINE	A	1MMT	0.73
NLE	NORLEUCINE	A,B	1JB6	0.73
NLE	NORLEUCINE	C	1K2B	0.73
NLE	NORLEUCINE	A,B,C	2AVQ	0.73
NLE	NORLEUCINE	C,D,I,L	1R1L	0.73
NLE	NORLEUCINE	E,S	2RLN	0.73
NLE	NORLEUCINE	E,S	1Z3L	0.73
NLE	NORLEUCINE	A,B,C	2AOD	0.73
NLE	NORLEUCINE	A,B,C	2J9J	0.73
NLE	NORLEUCINE	A,B,I	4HVP	0.73
NLE	NORLEUCINE	A,B,C	2AVM	0.73
NLE	NORLEUCINE	B,C	1K1T	0.73
NLE	NORLEUCINE	A,B,C	2AOC	0.73
NLE	NORLEUCINE	A,B,C	2JE4	0.73
NLE	NORLEUCINE	A,B,I	3DCK	0.73
NLE	NORLEUCINE	B	1EOL	0.73
NLE	NORLEUCINE	A	1FF0	0.73
NLE	NORLEUCINE	A	1FG6	0.73
NLE	NORLEUCINE	A	1FGC	0.73
NLE	NORLEUCINE	E,S	1Z3M	0.73
NLE	NORLEUCINE	A	2RME	0.73
NLE	NORLEUCINE	B	1FGL	0.73
NLE	NORLEUCINE	C	1K1U	0.73
NLE	NORLEUCINE	A,B	1B7H	0.73
NLE	NORLEUCINE	A	1HTH	0.73
NLE	NORLEUCINE	A,B,D	2J9K	0.73
NLE	NORLEUCINE	A	2RMD	0.73
NLE	NORLEUCINE	A,B,C	2AOG	0.73
NLE	NORLEUCINE	A	2RMI	0.73
NLE	NORLEUCINE	I	1EPO	0.73
NLE	NORLEUCINE	A	1FFI	0.73
NLE	NORLEUCINE	A	1HD9	0.73
NLE	NORLEUCINE	A	1FFF	0.73
NLE	NORLEUCINE	B	2JND	0.73
NLE	NORLEUCINE	A	1FEJ	0.73
NLE	NORLEUCINE	A	2K9E	0.73
NLE	NORLEUCINE	C	1CFN	0.73
NLE	NORLEUCINE	C	1K2C	0.73
NLE	NORLEUCINE	A	1WY4	0.73
NLE	NORLEUCINE	A	1FQ8	0.73
NLE	NORLEUCINE	A,B	1S1O	0.73
NLE	NORLEUCINE	A	2F4K	0.73
NLE	NORLEUCINE	A,B	1D5E	0.73
NLE	NORLEUCINE	A	2JX4	0.73
NLE	NORLEUCINE	A	1FG8	0.73
NLE	NORLEUCINE	A	1WY3	0.73
NLE	NORLEUCINE	I	1YTJ	0.73
NLE	NORLEUCINE	A,B,I	3DCR	0.73
NLE	NORLEUCINE	A,I	2O40	0.73
NLE	NORLEUCINE	A,B	2GYP	0.73
NLE	NORLEUCINE	C,F	1A8K	0.73
NLE	NORLEUCINE	C	1BAI	0.73
NLE	NORLEUCINE	A,B	2JT9	0.73
NLE	NORLEUCINE	A	2RM9	0.73
NLE	NORLEUCINE	A,B	1DAZ	0.73
NLE	NORLEUCINE	A	1F3R	0.73
NLE	NORLEUCINE	A,I	2JXR	0.73
NLE	NORLEUCINE	C,F	1A94	0.73
NLE	NORLEUCINE	A,B	1S4A	0.73
NLE	NORLEUCINE	A	1R9V	0.73
NLE	NORLEUCINE	A,B,C,D,E,F	2Z2T	0.73
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
CXP	CYCLOHEXANE PROPIONIC ACID	A,B	2AY2	0.7
DNE	D-NORLEUCINE	A	1R9V	0.73
DNE	D-NORLEUCINE	A,B	1S4A	0.73
DNE	D-NORLEUCINE	A,B	1S1O	0.73
DOA	12-AMINO-DODECANOIC ACID	B	1EOJ	0.71
DOA	12-AMINO-DODECANOIC ACID	A,D	1H8T	0.71
DOA	12-AMINO-DODECANOIC ACID	A	2DCX	0.71
DOA	12-AMINO-DODECANOIC ACID	B	1EOL	0.71
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.86
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.86
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.86
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.86
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.82
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.82
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3HF0	0.71
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A,B,D,E,F	3FDM	0.71
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3C3H	0.71
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EKM	0.78
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKJ	0.78
HHK	(2S)-2,8-DIAMINOOCTANOIC ACID	A	1XY8	0.74
192	1-AMINOCYCLOBUTANECARBOXLIC ACID	A	1Y1Z	0.75
AC5	1-AMINOCYCLOPENTANECARBOXYLIC ACID	A,B	1Y1M	0.87