MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03686220

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
0AK	(2S)-2-amino-4-(2-chloroethoxy)- 4-oxobutanoic acid	A	2DHD	0.79
CGA	CARBOXYMETHYLATED GLUTAMIC ACID	A	1DET	0.76
A0A	(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACID	A,B	2VJM	0.8
LAA	(3R)-3-hydroxy-L-alpha-asparagine	A	1CCF	0.73
ASA	ASPARTIC ALDEHYDE	E,F	2QLF	0.74
ASA	ASPARTIC ALDEHYDE	C	3H11	0.74
ASA	ASPARTIC ALDEHYDE	D,E,F	2QL9	0.74
ASA	ASPARTIC ALDEHYDE	C	2H5I	0.74
ASA	ASPARTIC ALDEHYDE	E,F	2H65	0.74
ASA	ASPARTIC ALDEHYDE	A,B	1IAU	0.74
ASA	ASPARTIC ALDEHYDE	A,E,F	2QLJ	0.74
ASA	ASPARTIC ALDEHYDE	E,F	2H5J	0.74
ASA	ASPARTIC ALDEHYDE	D,E,F	2QL5	0.74
ASA	ASPARTIC ALDEHYDE	D,E,F	2QL7	0.74
ASA	ASPARTIC ALDEHYDE	E,F	3EDR	0.74
ASA	ASPARTIC ALDEHYDE	A,B,C	1QTN	0.74
ASA	ASPARTIC ALDEHYDE	D,E,F	2QLB	0.74
AVG	2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACID	A	1IAY	0.8
DAS	D-ASPARTIC ACID	A	1BFW	0.79
DAS	D-ASPARTIC ACID	A,B,C,H,K,L	2R5D	0.79
DAS	D-ASPARTIC ACID	A	1KS7	0.79
DAS	D-ASPARTIC ACID	A	1C4B	0.79
DAS	D-ASPARTIC ACID	A,B,C,D	3BOG	0.79
DAS	D-ASPARTIC ACID	A,L	1ZEA	0.79
DAS	D-ASPARTIC ACID	A,B,C,D	1HG1	0.79
DAS	D-ASPARTIC ACID	A,B,C,H,K,L	2R5B	0.79
DAS	D-ASPARTIC ACID	A,B	2Q33	0.79
DAS	D-ASPARTIC ACID	E	1AN1	0.79
AS2	(2R)-2-AMINO-4-OXOBUTANOIC ACID	A,B,C,D	2GZ3	0.74
HSE	L-HOMOSERINE	A	2VDJ	0.77
HSE	L-HOMOSERINE	A,B,C,D	1EBU	0.77
HSE	L-HOMOSERINE	A,C	1J9N	0.77
HSE	L-HOMOSERINE	A	1PQP	0.77
HSE	L-HOMOSERINE	C	1H72	0.77
HSE	L-HOMOSERINE	E,F	3DKS	0.77
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A	2JCM	0.76
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A,B	1J97	0.76
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A,B	2G07	0.76
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A	1TA0	0.76
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A,B,C,D	1RLO	0.76
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A,B	1ZDM	0.76
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A	3EF1	0.76
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	E,F,G,H	2FTK	0.76
BFD	ASPARTATE BERYLLIUM TRIFLUORIDE	A,B	2HEG	0.76
ACB	3-METHYL-ASPARTIC ACID	C,F,G,H	3DW8	0.75
ACB	3-METHYL-ASPARTIC ACID	A,B,C,D,E,F, G,H	2NYL	0.75
ACB	3-METHYL-ASPARTIC ACID	A	1EVD	0.75
ACB	3-METHYL-ASPARTIC ACID	A	1EVB	0.75
ACB	3-METHYL-ASPARTIC ACID	A	1EVA	0.75
ACB	3-METHYL-ASPARTIC ACID	A	1LCM	0.75
ACB	3-METHYL-ASPARTIC ACID	A,B,C,D,E,F, G,H	2NYM	0.75
ACB	3-METHYL-ASPARTIC ACID	A	1AY3	0.75
ACB	3-METHYL-ASPARTIC ACID	A,B,M,N	1FJM	0.75
ACB	3-METHYL-ASPARTIC ACID	C,I	2IE3	0.75
ACB	3-METHYL-ASPARTIC ACID	C,F,X,Y	2NPP	0.75
ACB	3-METHYL-ASPARTIC ACID	C,F,M,N	2IAE	0.75
ACB	3-METHYL-ASPARTIC ACID	A	1EVC	0.75
BHD	BETA-HYDROXYASPARTIC ACID	A	1WHE	0.81
BHD	BETA-HYDROXYASPARTIC ACID	A	2DDE	0.81
BHD	BETA-HYDROXYASPARTIC ACID	C,L	1XKA	0.81
BHD	BETA-HYDROXYASPARTIC ACID	A	1ERM	0.81
BHD	BETA-HYDROXYASPARTIC ACID	L,P	1AUT	0.81
BHD	BETA-HYDROXYASPARTIC ACID	A	1WHF	0.81
BHD	BETA-HYDROXYASPARTIC ACID	L	1PFX	0.81
BHD	BETA-HYDROXYASPARTIC ACID	A,B,C,D	1XKB	0.81
CAN	CANALINE	A,B,C	2CAN	0.76
OXX	OXALYL-ASPARTYL ANHYDRIDE	A,B	1T4C	0.92
OHS	O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE	A,C	1Y9A	0.75
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A	1RTU	0.79
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A	1AT6	0.79
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	E,I	2FTL	0.79
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A,B	1DY5	0.79
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A,B	2FTM	0.79
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	E,I	2FI4	0.79
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	E,I	2FI5	0.79
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A	1C9P	0.79
IAS	BETA-ASPARTYL RESIDUE (GAMMA-LINKED)	A,B	1LSQ	0.79
DMK	3,3-DIMETHYL ASPARTIC ACID	E,F,G,H	1NKK	0.72
DMK	3,3-DIMETHYL ASPARTIC ACID	A,B,C,D,E,F, G,H	1NJT	0.72
UN2	2-AMINO-4,4-DIHYDROXYBUTANOIC ACID	A,B,C,D	1H0G	0.76
3MD	2S,3S-3-METHYLASPARTIC ACID	A,B	1KKR	0.75
3MD	2S,3S-3-METHYLASPARTIC ACID	A,B,C,D	1I9C	0.75
ASI	L-ISO-ASPARTATE	A	1EJC	0.79
ASI	L-ISO-ASPARTATE	A,B	1EJD	0.79
ASI	L-ISO-ASPARTATE	A,B,C,D	1YBG	0.79
ASI	L-ISO-ASPARTATE	A,B,C,D,E,F, G,H	1RYW	0.79
ASI	L-ISO-ASPARTATE	A,B,C,D	2Z2C	0.79
ASI	L-ISO-ASPARTATE	A,B,C,D	1JG3	0.79
ASI	L-ISO-ASPARTATE	A,B	1DLG	0.79
ASI	L-ISO-ASPARTATE	A,B,C,D	2HSE	0.79
ASI	L-ISO-ASPARTATE	A	1EYN	0.79
ASI	L-ISO-ASPARTATE	A	2JV0	0.79
ASI	L-ISO-ASPARTATE	A,B,C,D,E,F, G,H,I,J,K,L, W,X,Y,Z	1Q3G	0.79
AS9	N-[HYDROXY(METHYL)PHOSPHORYL]-L- ASPARTIC ACID	A,B	2O4H	0.7
B3S	(3R)-3-AMINO-4-HYDROXYBUTANOIC ACID	A	2OXK	0.77
B3S	(3R)-3-AMINO-4-HYDROXYBUTANOIC ACID	A,B,C	2OXJ	0.77
B3S	(3R)-3-AMINO-4-HYDROXYBUTANOIC ACID	A	1J8N	0.77
ASB	ASPARTIC ACID-4-CARBOXYMETHYL ESTER	A,B	1QQ6	1
ASB	ASPARTIC ACID-4-CARBOXYMETHYL ESTER	A,B	1QQ7	1
PHD	ASPARTYL PHOSPHATE	A	3BA6	0.72
PHD	ASPARTYL PHOSPHATE	A,B	2FPW	0.72
PHD	ASPARTYL PHOSPHATE	A,B,C,D,W,X, Y,Z	1QMP	0.72
PHD	ASPARTYL PHOSPHATE	A,B	1ZY2	0.72
PHD	ASPARTYL PHOSPHATE	A,B	1K68	0.72
PHD	ASPARTYL PHOSPHATE	A,B,C	1D5W	0.72
PHD	ASPARTYL PHOSPHATE	A,B	3CRN	0.72
PHD	ASPARTYL PHOSPHATE	A	2A9R	0.72
PHD	ASPARTYL PHOSPHATE	A,B	1LVH	0.72
PHD	ASPARTYL PHOSPHATE	A	1NXT	0.72
PHD	ASPARTYL PHOSPHATE	A	1DC8	0.72
2AS	(2S,3S)-3-amino-2-methyl-4-oxobutanoic acid	A,B,C,D,E,F, G,H,I,J,K,L	1W3M	0.75
ASL	ASPARTIC ACID-4-CARBOXYETHYL ESTER	A,B	2NO5	0.95