MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03275717

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
EXY	6-[(2R)-oxiran-2-yl]-L-norleucine	A,B	3DJ8	0.71
NLK	(2R,5S)-5-amino-2-butyl-4-oxononanoic acid	A,B,I	3DCK	0.73
AFC	(3R,12R)-3-AMINO-12-METHYLTETRADECANAL	A	2IGZ	0.72
IKT	3-(1-AMINOETHYL)NONANEDIOIC ACID	A	1DAE	0.8
HHK	(2S)-2,8-DIAMINOOCTANOIC ACID	A	1XY8	0.71
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
TCO	TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE	A	1Q6K	0.71
LPL	LEU-HYDROXYETHYLENE-LEU	B,D,F,H	1SMR	0.74
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.82
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.82
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.82
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.82
NOR	CYCLOHEXYL-NORSTATINE	E,I	1EPN	0.79
NOR	CYCLOHEXYL-NORSTATINE	P	1CZI	0.79
NOR	CYCLOHEXYL-NORSTATINE	A,I	1GVT	0.79
LTA	4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER	E,I	1APT	0.71
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	A	1FQ7	0.75
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	4ER1	0.75
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	3ER3	0.75
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.84
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	1QJ3	0.73
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B,C,D	3FMI	0.73
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	3DU4	0.73
STA	STATINE	E	1EPP	0.71
STA	STATINE	I	1XN3	0.71
STA	STATINE	A,B,I,J	2FIV	0.71
STA	STATINE	A,B,C,D	1QS8	0.71
STA	STATINE	A,B	2RMP	0.71
STA	STATINE	E,I	1APU	0.71
STA	STATINE	A,I	1GVU	0.71
STA	STATINE	I	3ER5	0.71
STA	STATINE	I	2ER9	0.71
STA	STATINE	E,I	4ER2	0.71
STA	STATINE	A,C,I,J,K	2B7F	0.71
STA	STATINE	A,B,C	5HVP	0.71
STA	STATINE	A,I	1GVV	0.71
STA	STATINE	A,I	1WKR	0.71
STA	STATINE	I	5APR	0.71
STA	STATINE	I	1PSO	0.71
STA	STATINE	I	6APR	0.71
STA	STATINE	A	1FQ5	0.71
STA	STATINE	A,I	3FNT	0.71
STA	STATINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.71
STA	STATINE	A,B,C,D,I,J	1LYB	0.71
STA	STATINE	B	1FIV	0.71
STA	STATINE	I	4APR	0.71
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
TMD	(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N- DIMETHYL-THREONINE	C	1CWK	0.72
NLH	(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid	A,B,I	3DCR	0.73
DNN	7,8-DIAMINO-NONANOIC ACID	A	1DAH	0.74
DNN	7,8-DIAMINO-NONANOIC ACID	A	1A82	0.74
DOA	12-AMINO-DODECANOIC ACID	B	1EOJ	0.72
DOA	12-AMINO-DODECANOIC ACID	A,D	1H8T	0.72
DOA	12-AMINO-DODECANOIC ACID	A	2DCX	0.72
DOA	12-AMINO-DODECANOIC ACID	B	1EOL	0.72
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
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.79
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.79
CFS	4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO- 3-HYDROXY-PENTANOIC ACID	A	1FQ8	0.73
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
CPV	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVQ	0.76
NLO	O-METHYL-L-NORLEUCINE	A,B	1S4A	0.7
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1OEX	0.74
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B,I	8HVP	0.74
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1GKT	0.74
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	E,I	2ER7	0.74
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
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1E80	0.77
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1EED	0.77
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	2ER0	0.77
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
MLL	METHYL L-LEUCINATE	C,F,M,N	2IAE	0.7
PCE	2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY- BUTYL)-PENT-4-YNOIC ACID	A	1FQ4	0.72