MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03089685

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
DMH	N4,N4-DIMETHYL-ASPARAGINE	E,F,G,H	1NKK	0.76
DMH	N4,N4-DIMETHYL-ASPARAGINE	A,B,C,D,E,F, G,H	1NJT	0.76
DMH	N4,N4-DIMETHYL-ASPARAGINE	E,F,G,H	1NJU	0.76
DMH	N4,N4-DIMETHYL-ASPARAGINE	Y,Z	1JQ7	0.76
DMH	N4,N4-DIMETHYL-ASPARAGINE	C	1NKM	0.76
SYS	3-[(2-amino-2-oxoethyl)selanyl]- L-alanine	A,B,C,D	3BOG	0.71
DNP	3-AMINO-ALANINE	A	1BEI	0.71
DAB	2,4-DIAMINOBUTYRIC ACID	A,B,C,D	1J73	0.75
DAB	2,4-DIAMINOBUTYRIC ACID	A	1JDK	0.75
DAB	2,4-DIAMINOBUTYRIC ACID	A,B,C,D	3D3S	0.75
DAB	2,4-DIAMINOBUTYRIC ACID	A,B	3DS9	0.75
DAB	2,4-DIAMINOBUTYRIC ACID	A	1J9V	0.75
DAB	2,4-DIAMINOBUTYRIC ACID	A	2PM1	0.75
DAB	2,4-DIAMINOBUTYRIC ACID	A	1JAR	0.75
DAB	2,4-DIAMINOBUTYRIC ACID	A,B	1B4H	0.75
2AS	(2S,3S)-3-amino-2-methyl-4-oxobutanoic acid	A,B,C,D,E,F, G,H,I,J,K,L	1W3M	0.71
ASI	L-ISO-ASPARTATE	A	1EJC	0.75
ASI	L-ISO-ASPARTATE	A,B	1EJD	0.75
ASI	L-ISO-ASPARTATE	A,B,C,D	1YBG	0.75
ASI	L-ISO-ASPARTATE	A,B,C,D,E,F, G,H	1RYW	0.75
ASI	L-ISO-ASPARTATE	A,B,C,D	2Z2C	0.75
ASI	L-ISO-ASPARTATE	A,B,C,D	1JG3	0.75
ASI	L-ISO-ASPARTATE	A,B	1DLG	0.75
ASI	L-ISO-ASPARTATE	A,B,C,D	2HSE	0.75
ASI	L-ISO-ASPARTATE	A	1EYN	0.75
ASI	L-ISO-ASPARTATE	A	2JV0	0.75
ASI	L-ISO-ASPARTATE	A,B,C,D,E,F, G,H,I,J,K,L, W,X,Y,Z	1Q3G	0.75
DPP	DIAMMINOPROPANOIC ACID	A,B	1B5H	0.71
ABU	GAMMA-AMINO-BUTANOIC ACID	E,I,J	1M1A	0.7
ABU	GAMMA-AMINO-BUTANOIC ACID	D,I,J	1M18	0.7
ABU	GAMMA-AMINO-BUTANOIC ACID	A	2OKK	0.7
ABU	GAMMA-AMINO-BUTANOIC ACID	I	1QUR	0.7
ABU	GAMMA-AMINO-BUTANOIC ACID	E,I,J	1M19	0.7
ABU	GAMMA-AMINO-BUTANOIC ACID	A,B	2OKJ	0.7
ABU	GAMMA-AMINO-BUTANOIC ACID	A,B	1CGL	0.7
ABU	GAMMA-AMINO-BUTANOIC ACID	A	6JDW	0.7
ABU	GAMMA-AMINO-BUTANOIC ACID	A,D,E,G,I,J	1S32	0.7
ABU	GAMMA-AMINO-BUTANOIC ACID	A,B	2JT9	0.7
VLL	(2S)-2,3-DIAMINOBUTANOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W3M	0.75
ASA	ASPARTIC ALDEHYDE	E,F	2QLF	0.7
ASA	ASPARTIC ALDEHYDE	C	3H11	0.7
ASA	ASPARTIC ALDEHYDE	D,E,F	2QL9	0.7
ASA	ASPARTIC ALDEHYDE	C	2H5I	0.7
ASA	ASPARTIC ALDEHYDE	E,F	2H65	0.7
ASA	ASPARTIC ALDEHYDE	A,B	1IAU	0.7
ASA	ASPARTIC ALDEHYDE	A,E,F	2QLJ	0.7
ASA	ASPARTIC ALDEHYDE	E,F	2H5J	0.7
ASA	ASPARTIC ALDEHYDE	D,E,F	2QL5	0.7
ASA	ASPARTIC ALDEHYDE	D,E,F	2QL7	0.7
ASA	ASPARTIC ALDEHYDE	E,F	3EDR	0.7
ASA	ASPARTIC ALDEHYDE	A,B,C	1QTN	0.7
ASA	ASPARTIC ALDEHYDE	D,E,F	2QLB	0.7
CAN	CANALINE	A,B,C	2CAN	0.72
6PR	(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACID	A,B,C,D	2H3E	0.71
OHS	O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE	A,C	1Y9A	0.71
GMA	4-AMIDO-4-CARBAMOYL-BUTYRIC ACID	A,B,C,D	2APH	0.72
GMA	4-AMIDO-4-CARBAMOYL-BUTYRIC ACID	B	2FCI	0.72
GMA	4-AMIDO-4-CARBAMOYL-BUTYRIC ACID	A	1B9U	0.72
GMA	4-AMIDO-4-CARBAMOYL-BUTYRIC ACID	A,P	1TWQ	0.72
B3Q	(3S)-3,6-diamino-6-oxohexanoic acid	A,B,C	3HEZ	0.72
B3Q	(3S)-3,6-diamino-6-oxohexanoic acid	A	3C3G	0.72
NSN	N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATE	A	1UHE	0.76
3MD	2S,3S-3-METHYLASPARTIC ACID	A,B	1KKR	0.71
3MD	2S,3S-3-METHYLASPARTIC ACID	A,B,C,D	1I9C	0.71
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A	1RTU	0.75
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A	1AT6	0.75
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	E,I	2FTL	0.75
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A,B	1DY5	0.75
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A,B	2FTM	0.75
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	E,I	2FI4	0.75
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	E,I	2FI5	0.75
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A	1C9P	0.75
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A,B	1LSQ	0.75
AHB	BETA-HYDROXYASPARAGINE	A	1DSR	0.73
AHB	BETA-HYDROXYASPARAGINE	A,G	1NT0	0.73
AHB	BETA-HYDROXYASPARAGINE	A	2ZGD	0.73
AHB	BETA-HYDROXYASPARAGINE	A,B	2QC9	0.73
AHB	BETA-HYDROXYASPARAGINE	A	2OG7	0.73
193	(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACID	A	1XY5	0.71
MEN	N-METHYL ASPARAGINE	A,B,K,L	1B8D	0.76
MEN	N-METHYL ASPARAGINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	1GH0	0.76
MEN	N-METHYL ASPARAGINE	A,B,C,D	1XF6	0.76
MEN	N-METHYL ASPARAGINE	A,B,C,D,E,F, H,I,J,K,L,M	1B33	0.76
MEN	N-METHYL ASPARAGINE	A,B	1I7Y	0.76
MEN	N-METHYL ASPARAGINE	A,B	3BRP	0.76
MEN	N-METHYL ASPARAGINE	A,B	1JBO	0.76
MEN	N-METHYL ASPARAGINE	A,B	1ALL	0.76
MEN	N-METHYL ASPARAGINE	A,B,K,L	1EYX	0.76
MEN	N-METHYL ASPARAGINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	1HA7	0.76
MEN	N-METHYL ASPARAGINE	A,B,C,D	2VJH	0.76
MEN	N-METHYL ASPARAGINE	A,B	1KTP	0.76
MEN	N-METHYL ASPARAGINE	A,B	1PHN	0.76
MEN	N-METHYL ASPARAGINE	A,B,C,D	1QGW	0.76
MEN	N-METHYL ASPARAGINE	A,B,C,D	1XG0	0.76
MEN	N-METHYL ASPARAGINE	A,B	2VJT	0.76
MEN	N-METHYL ASPARAGINE	A,B,C,D,E,F, K,L,M,N,O,P	2BV8	0.76
MEN	N-METHYL ASPARAGINE	A,B	2V8A	0.76
MEN	N-METHYL ASPARAGINE	A,B,C,D,E,F, G,H	3DBJ	0.76
DAS	D-ASPARTIC ACID	A	1BFW	0.75
DAS	D-ASPARTIC ACID	A,B,C,H,K,L	2R5D	0.75
DAS	D-ASPARTIC ACID	A	1KS7	0.75
DAS	D-ASPARTIC ACID	A	1C4B	0.75
DAS	D-ASPARTIC ACID	A,B,C,D	3BOG	0.75
DAS	D-ASPARTIC ACID	A,L	1ZEA	0.75
DAS	D-ASPARTIC ACID	A,B,C,D	1HG1	0.75
DAS	D-ASPARTIC ACID	A,B,C,H,K,L	2R5B	0.75
DAS	D-ASPARTIC ACID	A,B	2Q33	0.75
DAS	D-ASPARTIC ACID	E	1AN1	0.75
B3A	(3S)-3-AMINOBUTANOIC ACID	A,B,C	2OXJ	0.71
B3A	(3S)-3-AMINOBUTANOIC ACID	A,B,C	3HEZ	0.71
B3A	(3S)-3-AMINOBUTANOIC ACID	A	2OXK	0.71
AL0	3-[HYDROXY(NITROSO)AMINO]-L-ALANINE	A,B,G,H	2AIR	0.72
ACB	3-METHYL-ASPARTIC ACID	C,F,G,H	3DW8	0.71
ACB	3-METHYL-ASPARTIC ACID	A,B,C,D,E,F, G,H	2NYL	0.71
ACB	3-METHYL-ASPARTIC ACID	A	1EVD	0.71
ACB	3-METHYL-ASPARTIC ACID	A	1EVB	0.71
ACB	3-METHYL-ASPARTIC ACID	A	1EVA	0.71
ACB	3-METHYL-ASPARTIC ACID	A	1LCM	0.71
ACB	3-METHYL-ASPARTIC ACID	A,B,C,D,E,F, G,H	2NYM	0.71
ACB	3-METHYL-ASPARTIC ACID	A	1AY3	0.71
ACB	3-METHYL-ASPARTIC ACID	A,B,M,N	1FJM	0.71
ACB	3-METHYL-ASPARTIC ACID	C,I	2IE3	0.71
ACB	3-METHYL-ASPARTIC ACID	C,F,X,Y	2NPP	0.71
ACB	3-METHYL-ASPARTIC ACID	C,F,M,N	2IAE	0.71
ACB	3-METHYL-ASPARTIC ACID	A	1EVC	0.71
HGA	GLUTAMINE HYDROXAMATE	A,B	1XFG	0.75
LAA	(3R)-3-hydroxy-L-alpha-asparagine	A	1CCF	0.76
B3E	(3S)-3-AMINOHEXANEDIOIC ACID	A	3C3G	0.71
B3E	(3S)-3-AMINOHEXANEDIOIC ACID	A	2OXK	0.71
B3E	(3S)-3-AMINOHEXANEDIOIC ACID	A,B,C,D	3C3F	0.71
B3E	(3S)-3-AMINOHEXANEDIOIC ACID	A,B,C	3HEZ	0.71
B3E	(3S)-3-AMINOHEXANEDIOIC ACID	A,B,C	2OXJ	0.71
DSG	D-ASPARAGINE	A,B	2Q33	0.85
DSG	D-ASPARAGINE	A	2IH0	0.85
DSG	D-ASPARAGINE	A	2JUE	0.85
DSG	D-ASPARAGINE	A	1A85	0.85
DSG	D-ASPARAGINE	A	1T5N	0.85
DSG	D-ASPARAGINE	A	2IGZ	0.85
DSG	D-ASPARAGINE	A,B,C,D	3BOG	0.85
DSG	D-ASPARAGINE	A	1T5M	0.85
DSG	D-ASPARAGINE	A,B	1HXB	0.85
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A	2JCM	0.72
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A,B	1J97	0.72
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A,B	2G07	0.72
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A	1TA0	0.72
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A,B,C,D	1RLO	0.72
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A,B	1ZDM	0.72
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A	3EF1	0.72
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	E,F,G,H	2FTK	0.72
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A,B	2HEG	0.72
VDL	(2R,3R)-2,3-DIAMINOBUTANOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W3M	0.75