MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02408527

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
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COJ	0.78
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B,C	2EJ3	0.78
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2A1H	0.78
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COI	0.78
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3H	0.76
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3G	0.76
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C,D	3C3F	0.76
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C	3HEZ	0.76
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,D,E,F	3FDM	0.76
LPL	LEU-HYDROXYETHYLENE-LEU	B,D,F,H	1SMR	0.75
6CL	6-CARBOXYLYSINE	U	2AIZ	0.7
API	2,6-DIAMINOPIMELIC ACID	A,B	1E8C	0.7
API	2,6-DIAMINOPIMELIC ACID	A	2DAP	0.7
API	2,6-DIAMINOPIMELIC ACID	E,S	148L	0.7
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3HF0	0.73
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A,B,D,E,F	3FDM	0.73
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3C3H	0.73
MNL	4,N-DIMETHYLNORLEUCINE	C	1CWC	0.74
DOA	12-AMINO-DODECANOIC ACID	B	1EOJ	0.74
DOA	12-AMINO-DODECANOIC ACID	A,D	1H8T	0.74
DOA	12-AMINO-DODECANOIC ACID	A	2DCX	0.74
DOA	12-AMINO-DODECANOIC ACID	B	1EOL	0.74
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	A	1FQ7	0.72
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	4ER1	0.72
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	3ER3	0.72
NLH	(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid	A,B,I	3DCR	0.77
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EKM	0.8
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKJ	0.8
PB1	3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID	A,B	1PV8	0.81
CPV	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVQ	0.73
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	1QJ3	0.75
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B,C,D	3FMI	0.75
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	3DU4	0.75
DFO	2,2-DIFLUORO-3-HYDROSTATINE	E,I	1APV	0.71
NLK	(2R,5S)-5-amino-2-butyl-4-oxononanoic acid	A,B,I	3DCK	0.77
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5Z	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	5GDS	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2A2X	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FEQ	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2ANK	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,C,D	3DPP	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1EB1	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1NZQ	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1HBT	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D6E	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B	1B3H	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FES	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	C,D,E,G,H	3DPQ	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1THS	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1QUR	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D	3DPO	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	4THN	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,D	1D5M	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1O0D	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1XRZ	0.8
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5X	0.8
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C	3HEZ	0.76
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C,D	3C3F	0.76
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3HF0	0.76
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3C3G	0.76
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1OEX	0.75
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B,I	8HVP	0.75
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1GKT	0.75
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	E,I	2ER7	0.75
DNN	7,8-DIAMINO-NONANOIC ACID	A	1DAH	0.76
DNN	7,8-DIAMINO-NONANOIC ACID	A	1A82	0.76
STA	STATINE	E	1EPP	0.73
STA	STATINE	I	1XN3	0.73
STA	STATINE	A,B,I,J	2FIV	0.73
STA	STATINE	A,B,C,D	1QS8	0.73
STA	STATINE	A,B	2RMP	0.73
STA	STATINE	E,I	1APU	0.73
STA	STATINE	A,I	1GVU	0.73
STA	STATINE	I	3ER5	0.73
STA	STATINE	I	2ER9	0.73
STA	STATINE	E,I	4ER2	0.73
STA	STATINE	A,C,I,J,K	2B7F	0.73
STA	STATINE	A,B,C	5HVP	0.73
STA	STATINE	A,I	1GVV	0.73
STA	STATINE	A,I	1WKR	0.73
STA	STATINE	I	5APR	0.73
STA	STATINE	I	1PSO	0.73
STA	STATINE	I	6APR	0.73
STA	STATINE	A	1FQ5	0.73
STA	STATINE	A,I	3FNT	0.73
STA	STATINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.73
STA	STATINE	A,B,C,D,I,J	1LYB	0.73
STA	STATINE	B	1FIV	0.73
STA	STATINE	I	4APR	0.73
NPI	2-AMINOPIMELIC ACID	A	2TDT	0.71
NPI	2-AMINOPIMELIC ACID	A	1KGQ	0.71
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A	3C3G	0.73
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C	2OXJ	0.73
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C,D	3C3F	0.73
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C	3HEZ	0.73
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A	2OXK	0.73
IKT	3-(1-AMINOETHYL)NONANEDIOIC ACID	A	1DAE	0.84
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.81
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.81
CHF	CYCLOHEXYLFLUOROSTATONE	E	1EPR	0.71
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	1OD1	0.71
CHF	CYCLOHEXYLFLUOROSTATONE	A,I	2JXR	0.71
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2VS2	0.71
CHF	CYCLOHEXYLFLUOROSTATONE	I	1EPO	0.71
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJJ	0.71
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJI	0.71
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1E80	0.72
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1EED	0.72
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	2ER0	0.72
HHK	(2S)-2,8-DIAMINOOCTANOIC ACID	A	1XY8	0.73
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.78
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.78
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.78
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.78
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EJX	0.8
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKE	0.8
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.8
AHP	2-AMINO-HEPTANOIC ACID	D	1J4X	0.74