MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03399557

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
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	A,B,I	1HIV	0.73
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVP	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5Z	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	5GDS	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2A2X	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FEQ	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2ANK	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,C,D	3DPP	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1EB1	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1NZQ	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1HBT	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D6E	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B	1B3H	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FES	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	C,D,E,G,H	3DPQ	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1THS	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1QUR	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D	3DPO	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	4THN	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,D	1D5M	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1O0D	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1XRZ	0.89
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5X	0.89
HHK	(2S)-2,8-DIAMINOOCTANOIC ACID	A	1XY8	0.76
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	1QJ3	0.78
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B,C,D	3FMI	0.78
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	3DU4	0.78
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
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
CHF	CYCLOHEXYLFLUOROSTATONE	E	1EPR	0.78
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	1OD1	0.78
CHF	CYCLOHEXYLFLUOROSTATONE	A,I	2JXR	0.78
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2VS2	0.78
CHF	CYCLOHEXYLFLUOROSTATONE	I	1EPO	0.78
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJJ	0.78
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJI	0.78
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.87
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.87
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.87
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.87
IKT	3-(1-AMINOETHYL)NONANEDIOIC ACID	A	1DAE	0.87
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.84
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.84
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1E80	0.79
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1EED	0.79
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	2ER0	0.79
DFO	2,2-DIFLUORO-3-HYDROSTATINE	E,I	1APV	0.71
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.89
DOA	12-AMINO-DODECANOIC ACID	B	1EOJ	0.77
DOA	12-AMINO-DODECANOIC ACID	A,D	1H8T	0.77
DOA	12-AMINO-DODECANOIC ACID	A	2DCX	0.77
DOA	12-AMINO-DODECANOIC ACID	B	1EOL	0.77
CPV	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVQ	0.81
NLK	(2R,5S)-5-amino-2-butyl-4-oxononanoic acid	A,B,I	3DCK	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
CFS	4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO- 3-HYDROXY-PENTANOIC ACID	A	1FQ8	0.75
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
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COJ	0.81
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B,C	2EJ3	0.81
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2A1H	0.81
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COI	0.81
PCE	2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY- BUTYL)-PENT-4-YNOIC ACID	A	1FQ4	0.74
PB1	3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID	A,B	1PV8	0.78
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
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	A	1FQ7	0.79
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	4ER1	0.79
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	3ER3	0.79
DNN	7,8-DIAMINO-NONANOIC ACID	A	1DAH	0.79
DNN	7,8-DIAMINO-NONANOIC ACID	A	1A82	0.79
CXP	CYCLOHEXANE PROPIONIC ACID	A,B	2AY2	0.7
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3H	0.73
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3G	0.73
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C,D	3C3F	0.73
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C	3HEZ	0.73
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,D,E,F	3FDM	0.73
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1OEX	0.78
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B,I	8HVP	0.78
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1GKT	0.78
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	E,I	2ER7	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
NLH	(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid	A,B,I	3DCR	0.8
TMD	(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N- DIMETHYL-THREONINE	C	1CWK	0.71
AHP	2-AMINO-HEPTANOIC ACID	D	1J4X	0.74
NOR	CYCLOHEXYL-NORSTATINE	E,I	1EPN	0.74
NOR	CYCLOHEXYL-NORSTATINE	P	1CZI	0.74
NOR	CYCLOHEXYL-NORSTATINE	A,I	1GVT	0.74