MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00484147

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
MNL	4,N-DIMETHYLNORLEUCINE	C	1CWC	0.75
INC	2-(ACETYL-HYDROXY-AMINO)-4-METHYL- PENTANOIC ACID METHYL ESTER	A	7TLN	0.78
U17	METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]- L-SERYL-L-LEUCINATE	A	2GGB	0.73
LNT	N-[(2S)-2-amino-1,1-dihydroxy-4- methylpentyl]-L-threonine	A,B,C	3B80	0.73
LNT	N-[(2S)-2-amino-1,1-dihydroxy-4- methylpentyl]-L-threonine	A,B,C	3B7V	0.73
HTF	N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE	A	2AVX	0.73
CLH	2-AMINO-6-[2-(2-OXO-ACETYLAMINO)- ACETYLAMINO]-HEXANOIC ACID	A,B	1K09	0.74
DNG	N-FORMYL-D-NORLEUCINE	A,B	1S4A	0.7
SUO	N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE	A,B,C,D	1YNH	0.71
AIO	[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID	A	2EEP	0.74
AIO	[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID	A	2Z3Z	0.74
PYH	N~6~-{[(2R,3R)-3-METHYL-3,4-DIHYDRO- 2H-PYRROL-2-YL]CARBONYL}-L-LYSINE	A	2ZCE	0.72
REY	GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL- D-ALANINE	A	1IKI	0.75
MLE	N-METHYLLEUCINE	A,D	2J9A	0.73
MLE	N-METHYLLEUCINE	C	1IKF	0.73
MLE	N-METHYLLEUCINE	A,M,N	2Z6W	0.73
MLE	N-METHYLLEUCINE	B,D,F,H,J,L, N,P	1C5F	0.73
MLE	N-METHYLLEUCINE	D,E,F	1XQ7	0.73
MLE	N-METHYLLEUCINE	C	1CWA	0.73
MLE	N-METHYLLEUCINE	C	1CWF	0.73
MLE	N-METHYLLEUCINE	B,D,F,H,J,L, N,P,R,T	2RMB	0.73
MLE	N-METHYLLEUCINE	B	3CYS	0.73
MLE	N-METHYLLEUCINE	C	1CWH	0.73
MLE	N-METHYLLEUCINE	A,B,C,D,E,F, G,H	3BO7	0.73
MLE	N-METHYLLEUCINE	C	1CYN	0.73
MLE	N-METHYLLEUCINE	A	1LV9	0.73
MLE	N-METHYLLEUCINE	C,D	2OJU	0.73
MLE	N-METHYLLEUCINE	B,D,F,H,J,L, N,P,R,T	2RMA	0.73
MLE	N-METHYLLEUCINE	A	1IKM	0.73
MLE	N-METHYLLEUCINE	C	1CWK	0.73
MLE	N-METHYLLEUCINE	A,B	2HG8	0.73
MLE	N-METHYLLEUCINE	C	1CWB	0.73
MLE	N-METHYLLEUCINE	C	1CWJ	0.73
MLE	N-METHYLLEUCINE	A	1CYB	0.73
MLE	N-METHYLLEUCINE	D	1QNG	0.73
MLE	N-METHYLLEUCINE	B	1MIK	0.73
MLE	N-METHYLLEUCINE	A	1CSA	0.73
MLE	N-METHYLLEUCINE	C	1CWL	0.73
MLE	N-METHYLLEUCINE	A	1CYA	0.73
MLE	N-METHYLLEUCINE	A,B,D	1MF8	0.73
MLE	N-METHYLLEUCINE	C	1BCK	0.73
MLE	N-METHYLLEUCINE	A,B,D,E,F,H	1M63	0.73
MLE	N-METHYLLEUCINE	C	1CWC	0.73
MLE	N-METHYLLEUCINE	C	1CWI	0.73
MLE	N-METHYLLEUCINE	C,D	1QNH	0.73
MLE	N-METHYLLEUCINE	B,D,F,H	2RMC	0.73
MLE	N-METHYLLEUCINE	C	1CWM	0.73
MLE	N-METHYLLEUCINE	T,U,V	2POY	0.73
MLE	N-METHYLLEUCINE	A,B,C,D,E,F, I,J,K,L,M,N	2ESL	0.73
MLE	N-METHYLLEUCINE	C	1CWO	0.73
MLE	N-METHYLLEUCINE	A	1IKL	0.73
REZ	(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}- 7-OXOHEPTANOIC ACID	A,B	2J9P	0.73
REZ	(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}- 7-OXOHEPTANOIC ACID	A,B,C,D	2VGK	0.73
MLL	METHYL L-LEUCINATE	C,F,M,N	2IAE	0.71
NLQ	N~2~-ACETYL-L-GLUTAMINE	A,B,C,D	2GGH	0.71
NLQ	N~2~-ACETYL-L-GLUTAMINE	A,B,C,D	1XPY	0.71
SN0	N-(3-CARBOXYPROPANOYL)-L-NORVALINE	A	2G65	0.7
SN0	N-(3-CARBOXYPROPANOYL)-L-NORVALINE	A	2G6A	0.7
SN0	N-(3-CARBOXYPROPANOYL)-L-NORVALINE	A	2G68	0.7
SN0	N-(3-CARBOXYPROPANOYL)-L-NORVALINE	C,D,E,X,Y,Z	2FG7	0.7
SN0	N-(3-CARBOXYPROPANOYL)-L-NORVALINE	A	2G6C	0.7
SN0	N-(3-CARBOXYPROPANOYL)-L-NORVALINE	C,D,E,X,Y,Z	2FG6	0.7
75V	N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN- 2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE	A	2DCA	0.71
BCV	D-(L-A-AMINOADIPOYL)-L-CYSTEINYL- D-CYCLOPROPYLGLYCINE	A	2IVJ	0.71
DLS	DI-ACETYL-LYSINE	A,B,C,D,E,F	1FVM	0.76
NSK	N-SUCCINYL LYSINE	A	2P8B	0.7
ACW	D-(L-A-AMINOADIPOYL)-L-CYSTEINYL- B-METHYL-D-CYCLOPROPYLGLYCINE	B	2IVI	0.71
RHS	3-(CARBOXYAMIDE(2-CARBOXYAMIDE- 2-TERTBUTYLETHYL))PENTAN	A	1JLD	0.71
ACV	L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE	A	2BJS	0.74
ACV	L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE	A	1QJE	0.74
ACV	L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE	A	1BK0	0.74
ACV	L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE	A	1BLZ	0.74
RE1	GLYCYL-L-A-AMINOPIMELYL-E-(D-2- AMINOETHYL)PHOSPHONATE	A	1MPL	0.71
IML	N-METHYL-ISOLEUCINE	C	1CWM	0.73
ATI	N-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACID	A	1Y0Y	0.71
E6C	N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE	A	1PPP	0.74
E6C	N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE	A	1PE6	0.74
E6C	N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE	A	1ITO	0.74
76V	N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN- 2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE	A	2DCB	0.71
MCP	2-CARBOXY-4-METHYLPIPERIDINE	H	1ETR	0.71
C6L	N-hexanoyl-L-homoserine	A	3DHA	0.7
C6L	N-hexanoyl-L-homoserine	A	3DHB	0.7
MCL	NZ-(1-CARBOXYETHYL)-LYSINE	A,B	1O5K	0.7
MCL	NZ-(1-CARBOXYETHYL)-LYSINE	A,B	3CPR	0.7
MCL	NZ-(1-CARBOXYETHYL)-LYSINE	A,B	2VC6	0.7
CIB	2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1- (1-FORMYL-PENTYLCARBAMOYL)-3-METHYL- BUTYL]-AMIDE	H,I,J,K,L,M,N	1J2Q	0.73
AN0	N-ACETYL-L-NORVALINE	C,D,E,X,Y,Z	2G7M	0.74
AN0	N-ACETYL-L-NORVALINE	A	1ZQ8	0.74
OLN	(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID	A	1YH1	0.71
74M	METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE	A	2DC9	0.72
CLG	2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)- ACETYLAMINO]-HEXANOIC ACID	A,B	1K09	0.73
W05	DELTA-(L-ALPHA-AMINOADIPOYL)-L- CYSTEINYL-D-ALANINE	A	1W05	0.71
W05	DELTA-(L-ALPHA-AMINOADIPOYL)-L- CYSTEINYL-D-ALANINE	A	1W06	0.71
ORQ	N~5~-ACETYL-L-ORNITHINE	P,Q	2FX9	0.71
VB1	N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}- 2-oxo-1-(sulfanylmethyl)ethyl]- 6-oxo-L-lysine	A	2VBP	0.71
ALY	N(6)-ACETYLLYSINE	A,B	2B4D	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2OD9	0.74
ALY	N(6)-ACETYLLYSINE	A,B,C,P,Q	2DVR	0.74
ALY	N(6)-ACETYLLYSINE	A,B,C,P,Q	2DVS	0.74
ALY	N(6)-ACETYLLYSINE	A,B,C,P,Q	2DVQ	0.74
ALY	N(6)-ACETYLLYSINE	A,B,C,D	2OT7	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2B5G	0.74
ALY	N(6)-ACETYLLYSINE	A	2GIV	0.74
ALY	N(6)-ACETYLLYSINE	B	2RNY	0.74
ALY	N(6)-ACETYLLYSINE	A	1JSP	0.74
ALY	N(6)-ACETYLLYSINE	A,B,I,L	2V5W	0.74
ALY	N(6)-ACETYLLYSINE	A,D	3D4B	0.74
ALY	N(6)-ACETYLLYSINE	A,B,C,D	2OQ6	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2R0Y	0.74
ALY	N(6)-ACETYLLYSINE	A	3CZ7	0.74
ALY	N(6)-ACETYLLYSINE	A	1JM4	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2H4H	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2J6V	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2R10	0.74
ALY	N(6)-ACETYLLYSINE	A,B	1YC5	0.74
ALY	N(6)-ACETYLLYSINE	A,B,C,D	2OX0	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2H2G	0.74
ALY	N(6)-ACETYLLYSINE	A,D	2H4F	0.74
ALY	N(6)-ACETYLLYSINE	A	2OU2	0.74
ALY	N(6)-ACETYLLYSINE	A,B	1S5P	0.74
ALY	N(6)-ACETYLLYSINE	B	2RNW	0.74
ALY	N(6)-ACETYLLYSINE	A	3D35	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2OD2	0.74
ALY	N(6)-ACETYLLYSINE	A	2ZFN	0.74
ALY	N(6)-ACETYLLYSINE	C,D	2C1J	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2QQG	0.74
ALY	N(6)-ACETYLLYSINE	B	2RNX	0.74
ALY	N(6)-ACETYLLYSINE	A,B	1MA3	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2H2H	0.74
ALY	N(6)-ACETYLLYSINE	A	2I2Z	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2OD7	0.74
ALY	N(6)-ACETYLLYSINE	P	1E6I	0.74
ALY	N(6)-ACETYLLYSINE	A,B	1SZC	0.74
ALY	N(6)-ACETYLLYSINE	A,B,C,D,I,J, K,L	3EWF	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2H2D	0.74
ALY	N(6)-ACETYLLYSINE	A,B	1Q1A	0.74
ALY	N(6)-ACETYLLYSINE	A,B	1SZD	0.74
ALY	N(6)-ACETYLLYSINE	Q,R	2E3K	0.74
ALY	N(6)-ACETYLLYSINE	A	2OZU	0.74
ALY	N(6)-ACETYLLYSINE	A,B	2QQF	0.74
ALY	N(6)-ACETYLLYSINE	A,B,C	2R0V	0.74
0AG	N-(ethoxycarbonyl)-L-leucine	I,J	1PSA	0.79
RO4	[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL- BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER	A	2TCL	0.8
AOR	N~2~-ACETYL-L-ORNITHINE	A	1ZQ6	0.75
REX	GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL- D-ALANYL-D-ALANINE	A	1IKG	0.74