MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02234849

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
NMM	(R)-2-AMINO-5-(3-METHYLGUANIDINO)BUTANOIC ACID	A,B,D,E	2V85	0.77
ZRG	N~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]- L-ornithinamide	A,B	3CHC	0.77
2NC	N-{(2S)-2-[(N-acetyl-L-threonyl- L-isoleucyl)amino]hexyl}-L-norleucyl- L-glutaminyl-L-argininamide	A,B	3BVA	0.73
REY	GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL- D-ALANINE	A	1IKI	0.73
3GA	3-PIPERIDYL-N-GUANIDINO-L-ALANINE	B,C	1BB0	0.73
3GA	3-PIPERIDYL-N-GUANIDINO-L-ALANINE	1	1YYY	0.73
3GA	3-PIPERIDYL-N-GUANIDINO-L-ALANINE	B,C	1CA8	0.73
1PI	3-(1-CARBAMIMIDOYL-PIPERIDIN-3- YL)-L-ALANINE	A,B	1ZZZ	0.73
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
AS1	ARGININOSUCCINATE	A,B,C,D	1TJW	0.74
AS1	ARGININOSUCCINATE	D	1DCN	0.74
AS1	ARGININOSUCCINATE	A,B,C,D	1K7W	0.74
AS1	ARGININOSUCCINATE	A,B,C,D	1J20	0.74
VIO	N5-(1-IMINO-3-BUTENYL)-L-ORNITHINE	A,B	1MMW	0.73
ACV	L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE	A	2BJS	0.75
ACV	L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE	A	1QJE	0.75
ACV	L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE	A	1BK0	0.75
ACV	L-D-(A-AMINOADIPOYL)-L-CYSTEINYL- D-VALINE	A	1BLZ	0.75
ORQ	N~5~-ACETYL-L-ORNITHINE	P,Q	2FX9	0.72
D20	N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}- L-ORNITHINE	A,B	2JAJ	0.76
X7O	5-AMINO-3-METHYL-PYRROLIDINE-2- CARBOXYLIC ACID	A	1L2Q	0.74
MGG	2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO- PENTANOIC ACID	A	1CVQ	0.81
M3R	Methyl phosphonated L-Arginine	A	3GNH	0.71
2MR	N3, N4-DIMETHYLARGININE	A,B,D,E	2V87	0.75
2MR	N3, N4-DIMETHYLARGININE	A,B,D,F	2V88	0.75
2MR	N3, N4-DIMETHYLARGININE	A	1G4H	0.75
2MR	N3, N4-DIMETHYLARGININE	A	1G42	0.75
2MR	N3, N4-DIMETHYLARGININE	A	1G5F	0.75
CMA	N2-(CARBOXYETHYL)-L-ARGININE	A,B	1JGT	0.79
0AG	N-(ethoxycarbonyl)-L-leucine	I,J	1PSA	0.72
CLH	2-AMINO-6-[2-(2-OXO-ACETYLAMINO)- ACETYLAMINO]-HEXANOIC ACID	A,B	1K09	0.7
E64	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE	A	1AEC	0.8
E64	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE	A,B	2PRE	0.8
E64	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE	A	1CV8	0.8
E64	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE	A	3C9E	0.8
E64	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE	A,B	3BCN	0.8
E64	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE	A	1ATK	0.8
E64	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE	A,B,C,D	3BPF	0.8
E64	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE	A	1TLO	0.8
E64	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE	A	1QX6	0.8
E64	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE	A	1MEG	0.8
E64	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE	A,B,C,D	2BDZ	0.8
IEL	N~6~-[(1Z)-ethanimidoyl]-L-lysine	A	3DIR	0.72
PYH	N~6~-{[(2R,3R)-3-METHYL-3,4-DIHYDRO- 2H-PYRROL-2-YL]CARBONYL}-L-LYSINE	A	2ZCE	0.71
DAR	D-ARGININE	A,B	2Q33	0.76
DAR	D-ARGININE	A,B,E,F,G,H	1MHW	0.76
DAR	D-ARGININE	A	2JUE	0.76
DAR	D-ARGININE	H,I	1A4W	0.76
DAR	D-ARGININE	A	1BDK	0.76
DAR	D-ARGININE	A	1CWZ	0.76
DAR	D-ARGININE	B	1CFA	0.76
DAR	D-ARGININE	B,C	3BV9	0.76
DAR	D-ARGININE	A	1CVQ	0.76
DAR	D-ARGININE	A	1P52	0.76
DAR	D-ARGININE	A,D	1CZQ	0.76
DAR	D-ARGININE	A	1CW8	0.76
DAR	D-ARGININE	A,B,C,D	3BOG	0.76
DAR	D-ARGININE	A	1BFW	0.76
DAR	D-ARGININE	A	1BG0	0.76
IGN	{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID	A	1K1O	0.76
IGN	{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID	H,I	1K21	0.76
HMR	BETA-HOMOARGININE	I	1ABI	0.7
HMR	BETA-HOMOARGININE	R	1NRQ	0.7
HMR	BETA-HOMOARGININE	R	1NRP	0.7
HMR	BETA-HOMOARGININE	A	3C3G	0.7
HMR	BETA-HOMOARGININE	A	3C3H	0.7
U0E	N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL- 2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]- CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE	B	1GNO	0.7
U0E	N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL- 2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]- CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE	B	1A9M	0.7
U0E	N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL- 2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]- CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE	A	1AXA	0.7
U0E	N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL- 2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]- CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE	A	1GNM	0.7
U0E	N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL- 2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]- CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE	A	1GNN	0.7
REZ	(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}- 7-OXOHEPTANOIC ACID	A,B	2J9P	0.71
REZ	(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}- 7-OXOHEPTANOIC ACID	A,B,C,D	2VGK	0.71
HRG	L-HOMOARGININE	A,B,C	2VDN	0.75
HRG	L-HOMOARGININE	A	3DIQ	0.75
HRG	L-HOMOARGININE	A,B	1DM7	0.75
OLN	(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID	A	1YH1	0.79
BG5	5-HYDROXYAMINO-3-METHYL-PYRROLIDINE- 2-CARBOXYLIC ACID	A	1TV2	0.71
DLS	DI-ACETYL-LYSINE	A,B,C,D,E,F	1FVM	0.74
SUO	N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE	A,B,C,D	1YNH	0.72
ILO	N5-IMINOETHYL-L-ORNITHINE	A,B	1ED6	0.71
AGM	5-METHYL-ARGININE	A,B,C,D,E,F	1HBO	0.73
AGM	5-METHYL-ARGININE	A,C,D,F	1MRO	0.73
AGM	5-METHYL-ARGININE	A,C,D,F	1E6Y	0.73
AGM	5-METHYL-ARGININE	A,B,C,D,E,F	1HBM	0.73
AGM	5-METHYL-ARGININE	A,B,C,D,E,F	1HBN	0.73
AGM	5-METHYL-ARGININE	A,B,C,D,E,F	1HBU	0.73
CLG	2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)- ACETYLAMINO]-HEXANOIC ACID	A,B	1K09	0.72
CSI	AMINO-(2-IMINO-HEXAHYDRO-PYRIMIDIN- 4-YL)-ACETIC ACID	A,B	1KE2	0.72
I58	4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE	A,B	1R35	0.7
ALY	N(6)-ACETYLLYSINE	A,B	2B4D	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2OD9	0.72
ALY	N(6)-ACETYLLYSINE	A,B,C,P,Q	2DVR	0.72
ALY	N(6)-ACETYLLYSINE	A,B,C,P,Q	2DVS	0.72
ALY	N(6)-ACETYLLYSINE	A,B,C,P,Q	2DVQ	0.72
ALY	N(6)-ACETYLLYSINE	A,B,C,D	2OT7	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2B5G	0.72
ALY	N(6)-ACETYLLYSINE	A	2GIV	0.72
ALY	N(6)-ACETYLLYSINE	B	2RNY	0.72
ALY	N(6)-ACETYLLYSINE	A	1JSP	0.72
ALY	N(6)-ACETYLLYSINE	A,B,I,L	2V5W	0.72
ALY	N(6)-ACETYLLYSINE	A,D	3D4B	0.72
ALY	N(6)-ACETYLLYSINE	A,B,C,D	2OQ6	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2R0Y	0.72
ALY	N(6)-ACETYLLYSINE	A	3CZ7	0.72
ALY	N(6)-ACETYLLYSINE	A	1JM4	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2H4H	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2J6V	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2R10	0.72
ALY	N(6)-ACETYLLYSINE	A,B	1YC5	0.72
ALY	N(6)-ACETYLLYSINE	A,B,C,D	2OX0	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2H2G	0.72
ALY	N(6)-ACETYLLYSINE	A,D	2H4F	0.72
ALY	N(6)-ACETYLLYSINE	A	2OU2	0.72
ALY	N(6)-ACETYLLYSINE	A,B	1S5P	0.72
ALY	N(6)-ACETYLLYSINE	B	2RNW	0.72
ALY	N(6)-ACETYLLYSINE	A	3D35	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2OD2	0.72
ALY	N(6)-ACETYLLYSINE	A	2ZFN	0.72
ALY	N(6)-ACETYLLYSINE	C,D	2C1J	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2QQG	0.72
ALY	N(6)-ACETYLLYSINE	B	2RNX	0.72
ALY	N(6)-ACETYLLYSINE	A,B	1MA3	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2H2H	0.72
ALY	N(6)-ACETYLLYSINE	A	2I2Z	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2OD7	0.72
ALY	N(6)-ACETYLLYSINE	P	1E6I	0.72
ALY	N(6)-ACETYLLYSINE	A,B	1SZC	0.72
ALY	N(6)-ACETYLLYSINE	A,B,C,D,I,J, K,L	3EWF	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2H2D	0.72
ALY	N(6)-ACETYLLYSINE	A,B	1Q1A	0.72
ALY	N(6)-ACETYLLYSINE	A,B	1SZD	0.72
ALY	N(6)-ACETYLLYSINE	Q,R	2E3K	0.72
ALY	N(6)-ACETYLLYSINE	A	2OZU	0.72
ALY	N(6)-ACETYLLYSINE	A,B	2QQF	0.72
ALY	N(6)-ACETYLLYSINE	A,B,C	2R0V	0.72
HAR	N-OMEGA-HYDROXY-L-ARGININE	X	2FBZ	0.74
HAR	N-OMEGA-HYDROXY-L-ARGININE	A,B	1DWW	0.74
HAR	N-OMEGA-HYDROXY-L-ARGININE	A,B	3NOS	0.74
HAR	N-OMEGA-HYDROXY-L-ARGININE	A,B	1DWV	0.74
HAR	N-OMEGA-HYDROXY-L-ARGININE	A,B	1DWX	0.74
HAR	N-OMEGA-HYDROXY-L-ARGININE	A,B	5NSE	0.74
HAR	N-OMEGA-HYDROXY-L-ARGININE	A,B	2FC2	0.74
HAR	N-OMEGA-HYDROXY-L-ARGININE	A	1M7Z	0.74
HAR	N-OMEGA-HYDROXY-L-ARGININE	A,B,C	1HQF	0.74
HAR	N-OMEGA-HYDROXY-L-ARGININE	A,B	1LZX	0.74
GND	2-AMINO-5-GUANIDINO-PENTANOIC ACID	A	1NBK	0.76
MNL	4,N-DIMETHYLNORLEUCINE	C	1CWC	0.71
REX	GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL- D-ALANYL-D-ALANINE	A	1IKG	0.75
SJ1	N-(ISOBUTOXYCARBONYL)-D-SERYL-N- ((1S)-4-{[AMINO(IMINO)METHYL]AMINO}- 1-FORMYLBUTYL)-L-ALANINAMIDE	U	1W10	0.78
MMO	N~5~-(DIAMINOMETHYLENE)-N~2~-METHYLORNITHINE	A	1EB1	0.73
169	1-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE- 1-CARBONYL)-3-(3-GUANIDINO-PROPYL)- 4-OXO-AZETIDINE-2-CARBOXYLIC ACID	A	1RXP	0.77
DA2	NG,NG-DIMETHYL-L-ARGININE	A,C,P,R	2VPG	0.78
DA2	NG,NG-DIMETHYL-L-ARGININE	A,B	7NSE	0.78
DA2	NG,NG-DIMETHYL-L-ARGININE	A,B,D,E	2V86	0.78
DA2	NG,NG-DIMETHYL-L-ARGININE	D	2B2U	0.78
3AR	N-OMEGA-PROPYL-L-ARGININE	A	1QW6	0.79
3AR	N-OMEGA-PROPYL-L-ARGININE	A,B	1QW4	0.79
3AR	N-OMEGA-PROPYL-L-ARGININE	A,B	1MMV	0.79
BCV	D-(L-A-AMINOADIPOYL)-L-CYSTEINYL- D-CYCLOPROPYLGLYCINE	A	2IVJ	0.72
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
AAG	N-ALPHA-L-ACETYL-ARGININE	A	1DRY	0.89
MLE	N-METHYLLEUCINE	A,D	2J9A	0.71
MLE	N-METHYLLEUCINE	C	1IKF	0.71
MLE	N-METHYLLEUCINE	A,M,N	2Z6W	0.71
MLE	N-METHYLLEUCINE	B,D,F,H,J,L, N,P	1C5F	0.71
MLE	N-METHYLLEUCINE	D,E,F	1XQ7	0.71
MLE	N-METHYLLEUCINE	C	1CWA	0.71
MLE	N-METHYLLEUCINE	C	1CWF	0.71
MLE	N-METHYLLEUCINE	B,D,F,H,J,L, N,P,R,T	2RMB	0.71
MLE	N-METHYLLEUCINE	B	3CYS	0.71
MLE	N-METHYLLEUCINE	C	1CWH	0.71
MLE	N-METHYLLEUCINE	A,B,C,D,E,F, G,H	3BO7	0.71
MLE	N-METHYLLEUCINE	C	1CYN	0.71
MLE	N-METHYLLEUCINE	A	1LV9	0.71
MLE	N-METHYLLEUCINE	C,D	2OJU	0.71
MLE	N-METHYLLEUCINE	B,D,F,H,J,L, N,P,R,T	2RMA	0.71
MLE	N-METHYLLEUCINE	A	1IKM	0.71
MLE	N-METHYLLEUCINE	C	1CWK	0.71
MLE	N-METHYLLEUCINE	A,B	2HG8	0.71
MLE	N-METHYLLEUCINE	C	1CWB	0.71
MLE	N-METHYLLEUCINE	C	1CWJ	0.71
MLE	N-METHYLLEUCINE	A	1CYB	0.71
MLE	N-METHYLLEUCINE	D	1QNG	0.71
MLE	N-METHYLLEUCINE	B	1MIK	0.71
MLE	N-METHYLLEUCINE	A	1CSA	0.71
MLE	N-METHYLLEUCINE	C	1CWL	0.71
MLE	N-METHYLLEUCINE	A	1CYA	0.71
MLE	N-METHYLLEUCINE	A,B,D	1MF8	0.71
MLE	N-METHYLLEUCINE	C	1BCK	0.71
MLE	N-METHYLLEUCINE	A,B,D,E,F,H	1M63	0.71
MLE	N-METHYLLEUCINE	C	1CWC	0.71
MLE	N-METHYLLEUCINE	C	1CWI	0.71
MLE	N-METHYLLEUCINE	C,D	1QNH	0.71
MLE	N-METHYLLEUCINE	B,D,F,H	2RMC	0.71
MLE	N-METHYLLEUCINE	C	1CWM	0.71
MLE	N-METHYLLEUCINE	T,U,V	2POY	0.71
MLE	N-METHYLLEUCINE	A,B,C,D,E,F, I,J,K,L,M,N	2ESL	0.71
MLE	N-METHYLLEUCINE	C	1CWO	0.71
MLE	N-METHYLLEUCINE	A	1IKL	0.71
CDV	3-METHYL-2-UREIDO-BUTYRIC ACID	B	1UF7	0.74
SUG	N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE	A,B,C,D	1YNI	0.82
SUG	N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE	A	2P8C	0.82
AN0	N-ACETYL-L-NORVALINE	C,D,E,X,Y,Z	2G7M	0.72
AN0	N-ACETYL-L-NORVALINE	A	1ZQ8	0.72
VB1	N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}- 2-oxo-1-(sulfanylmethyl)ethyl]- 6-oxo-L-lysine	A	2VBP	0.71
PCX	DEOXYGUANIDINOPROCLAVAMINIC ACID	A	1GVG	0.82
PCX	DEOXYGUANIDINOPROCLAVAMINIC ACID	A,B	1MC1	0.82
CIR	CITRULLINE	A,B,C,D	1J21	0.72
CIR	CITRULLINE	B	1KOD	0.72
CIR	CITRULLINE	A,B,C	3B3I	0.72
CIR	CITRULLINE	C	3DTX	0.72
CIR	CITRULLINE	A	2C6Z	0.72
CIR	CITRULLINE	A,C,E,F	2W65	0.72
CIR	CITRULLINE	A,B	2JAI	0.72
CIR	CITRULLINE	P	3FT2	0.72
CIR	CITRULLINE	A,B,C,D	1J1Z	0.72
CIR	CITRULLINE	A,B	1LXY	0.72
CIR	CITRULLINE	F,H	1OL1	0.72
CIR	CITRULLINE	A	1KP3	0.72
CIR	CITRULLINE	A	2NZ2	0.72
CIR	CITRULLINE	A	1H70	0.72
CIR	CITRULLINE	A	1K97	0.72
CIR	CITRULLINE	C	3B6S	0.72
AOR	N~2~-ACETYL-L-ORNITHINE	A	1ZQ6	0.75
E6C	N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE	A	1PPP	0.7
E6C	N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE	A	1PE6	0.7
E6C	N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE	A	1ITO	0.7
SVC	N-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}- 1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE	A,B	3BPM	0.85