MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002600

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
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3H	0.71
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3G	0.71
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C,D	3C3F	0.71
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C	3HEZ	0.71
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,D,E,F	3FDM	0.71
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
ABH	2(S)-AMINO-6-BORONOHEXANOIC ACID	A,B	1D3V	0.77
ABH	2(S)-AMINO-6-BORONOHEXANOIC ACID	A,B	2PLL	0.77
ABH	2(S)-AMINO-6-BORONOHEXANOIC ACID	A,B	3E6K	0.77
ABH	2(S)-AMINO-6-BORONOHEXANOIC ACID	A,B	3E6V	0.77
DDO	6-HYDROXY-D-NORLEUCINE	A,B,C,D	1JSL	0.71
AB5	2(S)-AMINO-6-BORONOHEXANOIC ACID	A,B	2AEB	0.75
DMO	ALPHA-DIFLUOROMETHYLORNITHINE	A,B,C,D	2TOD	0.72
AC5	1-AMINOCYCLOPENTANECARBOXYLIC ACID	A,B	1Y1M	1
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
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C	3HEZ	0.75
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C,D	3C3F	0.75
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3HF0	0.75
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3C3G	0.75
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.73
192	1-AMINOCYCLOBUTANECARBOXLIC ACID	A	1Y1Z	0.8
MNL	4,N-DIMETHYLNORLEUCINE	C	1CWC	0.72
NPI	2-AMINOPIMELIC ACID	A	2TDT	0.73
NPI	2-AMINOPIMELIC ACID	A	1KGQ	0.73
ACA	6-AMINOHEXANOIC ACID	A,B	2JT9	0.74
ACA	6-AMINOHEXANOIC ACID	A,B	1CEA	0.74
ACA	6-AMINOHEXANOIC ACID	C	1ILP	0.74
ACA	6-AMINOHEXANOIC ACID	A	2PK4	0.74
ACA	6-AMINOHEXANOIC ACID	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.74
ACA	6-AMINOHEXANOIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.74
ACA	6-AMINOHEXANOIC ACID	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.74
ACA	6-AMINOHEXANOIC ACID	A	1PK2	0.74
ACA	6-AMINOHEXANOIC ACID	A	2ZM7	0.74
ACA	6-AMINOHEXANOIC ACID	0,1,2,3,6,9, A,B,C,D,F,H, J,K,L,M,N,O, Q,R,S,T,U,Y,Z	3CMA	0.74
ACA	6-AMINOHEXANOIC ACID	C	1ILQ	0.74
ACA	6-AMINOHEXANOIC ACID	A	2ZM8	0.74
ACA	6-AMINOHEXANOIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQK	0.74
ACA	6-AMINOHEXANOIC ACID	A	2DCF	0.74
ACA	6-AMINOHEXANOIC ACID	A	1HPK	0.74
ACA	6-AMINOHEXANOIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQ8	0.74
ACA	6-AMINOHEXANOIC ACID	0,1,2,3,6,9, A,B,C,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	3CME	0.74
ACA	6-AMINOHEXANOIC ACID	A	2ZM9	0.74
ACA	6-AMINOHEXANOIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.74
ACA	6-AMINOHEXANOIC ACID	A	2ZMA	0.74
ACA	6-AMINOHEXANOIC ACID	A	3KIV	0.74
ACA	6-AMINOHEXANOIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQ9	0.74
DLE	D-LEUCINE	A,B	1ALZ	0.74
DLE	D-LEUCINE	A,B	1BDW	0.74
DLE	D-LEUCINE	A,D	1CZQ	0.74
DLE	D-LEUCINE	A	1BFW	0.74
DLE	D-LEUCINE	E,F,G,H	1XN2	0.74
DLE	D-LEUCINE	A,B,C,D	1GMK	0.74
DLE	D-LEUCINE	A,B	1TKQ	0.74
DLE	D-LEUCINE	A,B,C,H,K,L	2R5D	0.74
DLE	D-LEUCINE	A	2NPV	0.74
DLE	D-LEUCINE	A,B,C,D	2R3C	0.74
DLE	D-LEUCINE	B,D,E	1AFQ	0.74
DLE	D-LEUCINE	A,B	1MIC	0.74
DLE	D-LEUCINE	A,B	1NRU	0.74
DLE	D-LEUCINE	A,B	1JNO	0.74
DLE	D-LEUCINE	A,B	1GRM	0.74
DLE	D-LEUCINE	A,B	1NRM	0.74
DLE	D-LEUCINE	A,D	2Q3I	0.74
DLE	D-LEUCINE	A,B	1NT5	0.74
DLE	D-LEUCINE	A	2JUE	0.74
DLE	D-LEUCINE	A,B,C,D	1AV2	0.74
DLE	D-LEUCINE	A	1YY2	0.74
DLE	D-LEUCINE	A,B	1AL4	0.74
DLE	D-LEUCINE	A,B	1NG8	0.74
DLE	D-LEUCINE	A,B	1ALX	0.74
DLE	D-LEUCINE	A,B	1JO4	0.74
DLE	D-LEUCINE	A,B,C,H,K,L	2R5B	0.74
DLE	D-LEUCINE	A,B	1MAG	0.74
DLE	D-LEUCINE	A,B	1NT6	0.74
DLE	D-LEUCINE	A,B	2Q33	0.74
DLE	D-LEUCINE	A,B	1JO3	0.74
DLE	D-LEUCINE	E,I	1BLL	0.74
DLE	D-LEUCINE	A,B	1KQE	0.74
DLE	D-LEUCINE	A,B,C,D	1W5U	0.74
DLE	D-LEUCINE	A,B,C,D	2IZQ	0.74
DLE	D-LEUCINE	A	1C4B	0.74
DLE	D-LEUCINE	A,B,C,D	1C4D	0.74
LDO	6-HYDROXY-L-NORLEUCINE	A,B,C,D	1JSR	0.71
DO2	2-AMINO-6-OXO-HEXANOIC ACID	A,B	1DJP	0.7
2ML	2-METHYLLEUCINE	A,B,C	1I1L	0.82
2ML	2-METHYLLEUCINE	A	2RM9	0.82
2ML	2-METHYLLEUCINE	A	2RMD	0.82
LEF	(4S)-5-FLUORO-L-LEUCINE	A	1OGW	0.71
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.75
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.75
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.75
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.75
DIV	D-ISOVALINE	A	1IH9	0.73
DIV	D-ISOVALINE	A	1DLZ	0.73
DIV	D-ISOVALINE	A	1OB4	0.73
DIV	D-ISOVALINE	A,B	1JOH	0.73
DIV	D-ISOVALINE	A	1EE7	0.73
DIV	D-ISOVALINE	A,B	1OB6	0.73
DIV	D-ISOVALINE	A	1GQ0	0.73
DIV	D-ISOVALINE	A	1OB7	0.73
DIV	D-ISOVALINE	A	1R9U	0.73
6CL	6-CARBOXYLYSINE	U	2AIZ	0.71
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.71
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.71
C5B	(1S,3R)-1-AMINOCYCLOPENTANE-1,3- DICARBOXYLIC ACID	A,B	2E4X	0.8
API	2,6-DIAMINOPIMELIC ACID	A,B	1E8C	0.71
API	2,6-DIAMINOPIMELIC ACID	A	2DAP	0.71
API	2,6-DIAMINOPIMELIC ACID	E,S	148L	0.71
DNE	D-NORLEUCINE	A	1R9V	0.77
DNE	D-NORLEUCINE	A,B	1S4A	0.77
DNE	D-NORLEUCINE	A,B	1S1O	0.77
C5A	(1S,3S)-1-aminocyclopentane-1,3- dicarboxylic acid	A,B	2E4W	0.8
CCM	1-METHYL-1-CARBOXY-CYCLOPENTANE	A	1THL	0.7
MGN	2-METHYL-GLUTAMINE	A,B,C,D,E,F	1HBM	0.73
MGN	2-METHYL-GLUTAMINE	A,B,C,D,E,F	1HBN	0.73
MGN	2-METHYL-GLUTAMINE	A,B,C,D,E,F	1HBU	0.73
MGN	2-METHYL-GLUTAMINE	A,B,C,D,E,F	1HBO	0.73
MGN	2-METHYL-GLUTAMINE	A,C,D,F	1MRO	0.73
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
AHP	2-AMINO-HEPTANOIC ACID	D	1J4X	0.73
NLE	NORLEUCINE	A	1MMT	0.77
NLE	NORLEUCINE	A,B	1JB6	0.77
NLE	NORLEUCINE	C	1K2B	0.77
NLE	NORLEUCINE	A,B,C	2AVQ	0.77
NLE	NORLEUCINE	C,D,I,L	1R1L	0.77
NLE	NORLEUCINE	E,S	2RLN	0.77
NLE	NORLEUCINE	E,S	1Z3L	0.77
NLE	NORLEUCINE	A,B,C	2AOD	0.77
NLE	NORLEUCINE	A,B,C	2J9J	0.77
NLE	NORLEUCINE	A,B,I	4HVP	0.77
NLE	NORLEUCINE	A,B,C	2AVM	0.77
NLE	NORLEUCINE	B,C	1K1T	0.77
NLE	NORLEUCINE	A,B,C	2AOC	0.77
NLE	NORLEUCINE	A,B,C	2JE4	0.77
NLE	NORLEUCINE	A,B,I	3DCK	0.77
NLE	NORLEUCINE	B	1EOL	0.77
NLE	NORLEUCINE	A	1FF0	0.77
NLE	NORLEUCINE	A	1FG6	0.77
NLE	NORLEUCINE	A	1FGC	0.77
NLE	NORLEUCINE	E,S	1Z3M	0.77
NLE	NORLEUCINE	A	2RME	0.77
NLE	NORLEUCINE	B	1FGL	0.77
NLE	NORLEUCINE	C	1K1U	0.77
NLE	NORLEUCINE	A,B	1B7H	0.77
NLE	NORLEUCINE	A	1HTH	0.77
NLE	NORLEUCINE	A,B,D	2J9K	0.77
NLE	NORLEUCINE	A	2RMD	0.77
NLE	NORLEUCINE	A,B,C	2AOG	0.77
NLE	NORLEUCINE	A	2RMI	0.77
NLE	NORLEUCINE	I	1EPO	0.77
NLE	NORLEUCINE	A	1FFI	0.77
NLE	NORLEUCINE	A	1HD9	0.77
NLE	NORLEUCINE	A	1FFF	0.77
NLE	NORLEUCINE	B	2JND	0.77
NLE	NORLEUCINE	A	1FEJ	0.77
NLE	NORLEUCINE	A	2K9E	0.77
NLE	NORLEUCINE	C	1CFN	0.77
NLE	NORLEUCINE	C	1K2C	0.77
NLE	NORLEUCINE	A	1WY4	0.77
NLE	NORLEUCINE	A	1FQ8	0.77
NLE	NORLEUCINE	A,B	1S1O	0.77
NLE	NORLEUCINE	A	2F4K	0.77
NLE	NORLEUCINE	A,B	1D5E	0.77
NLE	NORLEUCINE	A	2JX4	0.77
NLE	NORLEUCINE	A	1FG8	0.77
NLE	NORLEUCINE	A	1WY3	0.77
NLE	NORLEUCINE	I	1YTJ	0.77
NLE	NORLEUCINE	A,B,I	3DCR	0.77
NLE	NORLEUCINE	A,I	2O40	0.77
NLE	NORLEUCINE	A,B	2GYP	0.77
NLE	NORLEUCINE	C,F	1A8K	0.77
NLE	NORLEUCINE	C	1BAI	0.77
NLE	NORLEUCINE	A,B	2JT9	0.77
NLE	NORLEUCINE	A	2RM9	0.77
NLE	NORLEUCINE	A,B	1DAZ	0.77
NLE	NORLEUCINE	A	1F3R	0.77
NLE	NORLEUCINE	A,I	2JXR	0.77
NLE	NORLEUCINE	C,F	1A94	0.77
NLE	NORLEUCINE	A,B	1S4A	0.77
NLE	NORLEUCINE	A	1R9V	0.77
NLE	NORLEUCINE	A,B,C,D,E,F	2Z2T	0.77
DLY	D-LYSINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.77
DLY	D-LYSINE	A	1C4B	0.77
DLY	D-LYSINE	A,B,C,D	3BOG	0.77
DLY	D-LYSINE	A	1KO0	0.77
DLY	D-LYSINE	A,B,C,D	3C1P	0.77
DLY	D-LYSINE	A,B,C,H,K,L	2R5D	0.77
DLY	D-LYSINE	A,B,C,D	2R3C	0.77
DLY	D-LYSINE	A,B,C,H,K,L	2R5B	0.77
DLY	D-LYSINE	A,B	2Q33	0.77
DLY	D-LYSINE	A,B	2ATS	0.77
DLY	D-LYSINE	A	1RCQ	0.77
DIL	D-ISOLEUCINE	A,B	2Q33	0.74
DIL	D-ISOLEUCINE	A	1CWZ	0.74
DIL	D-ISOLEUCINE	A	1CVQ	0.74
DIL	D-ISOLEUCINE	A	1C4B	0.74
DIL	D-ISOLEUCINE	A	1CW8	0.74
DIL	D-ISOLEUCINE	A	2AP8	0.74
IIL	ISO-ISOLEUCINE	A,B,C,D	1Q4V	0.74
IIL	ISO-ISOLEUCINE	A	1KMF	0.74
IIL	ISO-ISOLEUCINE	A,B,C	1TGG	0.74
IIL	ISO-ISOLEUCINE	A	1RH4	0.74
GAM	ALPHA-METHYL-L-GLUTAMIC ACID	A,B	1BJO	0.74
UN1	2-AMINOHEXANEDIOIC ACID	A,B,C,D	1H0G	0.71
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3HF0	0.81
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A,B,D,E,F	3FDM	0.81
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3C3H	0.81