MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03427845

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
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	H,J,L	1RV0	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2QWC	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2SIM	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1IVF	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1SLI	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1MS1	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1USR	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B,C,D	2CEX	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1MS0	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1W8N	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1V3D	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	2F27	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	2F29	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1W0O	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1MZ6	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B,C	1WCQ	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1NSD	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2VW1	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1E8V	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	2F25	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1Z50	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2VK6	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1MS8	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	3H73	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1EUS	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1F8B	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2HTW	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1NNB	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1Z4Z	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	2VVZ	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1N1V	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B,C	1USX	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1Z4W	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1VCU	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1N1T	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2HTR	0.94
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1Z4V	0.94
HS2	2-deoxy-4-O-(4-deoxy-alpha-L-threo- hex-4-enopyranuronosyl)-2-{[(1R)- 1-hydroxyethyl]amino}-alpha-D-glucopyranose	A,B,C	3E80	0.82
BEU	N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY- 4-(HYDROXYMETHYL)CYCLOHEX-3-EN- 1-YL]ACETAMIDE	A,B	2JIW	0.72
AC1	6-METHYL-5-(4,5,6-TRIHYDROXY-3- HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)- TETRAHYDRO-PYRAN-2,3,4-TRIOL	A	1W9X	0.71
AC1	6-METHYL-5-(4,5,6-TRIHYDROXY-3- HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)- TETRAHYDRO-PYRAN-2,3,4-TRIOL	A	1B2Y	0.71
AC1	6-METHYL-5-(4,5,6-TRIHYDROXY-3- HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)- TETRAHYDRO-PYRAN-2,3,4-TRIOL	A	1HX0	0.71
AC1	6-METHYL-5-(4,5,6-TRIHYDROXY-3- HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)- TETRAHYDRO-PYRAN-2,3,4-TRIOL	A	1OSE	0.71
4AM	4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACID	A	1F8C	0.91
4AM	4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACID	A	2QWD	0.91
G39	5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID	A	2QWH	0.7
G39	5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID	A	3CL0	0.7
G39	5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID	A	2QWK	0.7
G39	5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID	A,B,C,D,E,F, G,H	3CL2	0.7
G39	5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID	A	2HT8	0.7
G39	5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID	A	2HT7	0.7
G39	5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID	B	2HU0	0.7
G39	5-N-ACETYL-3-(1-ETHYLPROPYL)-1- CYCLOHEXENE-1-CARBOXYLIC ACID	A,B,C,D,E,F, G,H	2HU4	0.7
AMU	BETA-N-ACETYLMURAMIC ACID	A,B,C,D	2APH	0.7
AMU	BETA-N-ACETYLMURAMIC ACID	A,P	1TWQ	0.7
AMU	BETA-N-ACETYLMURAMIC ACID	A	1D0K	0.7
AMU	BETA-N-ACETYLMURAMIC ACID	S	9LYZ	0.7
AMU	BETA-N-ACETYLMURAMIC ACID	E,S	148L	0.7
AMU	BETA-N-ACETYLMURAMIC ACID	D,K	3CYQ	0.7
AMU	BETA-N-ACETYLMURAMIC ACID	U	2AIZ	0.7
IEM	5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY- 6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID	A	2F11	0.8
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	2GJP	0.73
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1G9H	0.73
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1BG9	0.73
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1PPI	0.73
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1RP9	0.73
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1G94	0.73
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1RPK	0.73
UCD	(4S,5R,6R)-6-((2R,3R,4R,5R,6R)- 3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)- TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5- DIHYDROXY-5,6-DIHYDRO-4H-PYRAN- 2-CARBOXYLIC ACID	A,B	2AHG	0.87
UCD	(4S,5R,6R)-6-((2R,3R,4R,5R,6R)- 3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)- TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5- DIHYDROXY-5,6-DIHYDRO-4H-PYRAN- 2-CARBOXYLIC ACID	A	2D8L	0.87
MUB	N-ACETYLMURAMIC ACID	L,N	1WCO	0.7
H1S	HEPARIN DISACCHARIDE I-S	A,B	1U4L	0.72
H1S	HEPARIN DISACCHARIDE I-S	A	2NWG	0.72
H1S	HEPARIN DISACCHARIDE I-S	A,B	2FUT	0.72
ZMR	ZANAMIVIR	A	2F0Z	0.86
ZMR	ZANAMIVIR	A	1NNC	0.86
ZMR	ZANAMIVIR	A,B	3B7E	0.86
ZMR	ZANAMIVIR	A,B	1V3E	0.86
ZMR	ZANAMIVIR	A,B	1A4G	0.86
ZMR	ZANAMIVIR	A	3CKZ	0.86
ZMR	ZANAMIVIR	A	2HTQ	0.86
ZMR	ZANAMIVIR	A,B,C,D	2CML	0.86
49A	4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO- N-ACETYL-NEURAMINIC ACID	A	1F8E	0.92
DYM	6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO- 5,6-DIHYDRO-4-HYDROXY-4H-PYRAN- 2-CARBOXYLIC ACID	A	2F13	0.81
9AM	9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL- NEURAMINIC ACID	A	1F8D	1
AF1	4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6- trihydroxy-3-(hydroxymethyl)cyclohex- 2-en-1-yl]amino}-beta-D-glucopyranose	A	1BG9	0.71
G20	4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE- 4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID	A	2QWI	0.74
G20	4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE- 4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID	A	2QWF	0.74
H3S	HEPARIN DISACCHARIDE III-S	A,B	1U4M	0.73
HTM	6-(3-HYDROXYPROPOXY)-5-ACETAMIDO- 5,6-DIHYDRO-4-HYDROXY-4H-PYRAN- 2-CARBOXYLIC ACID	A	2F12	0.82