MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03840213

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
AMU	BETA-N-ACETYLMURAMIC ACID	A,B,C,D	2APH	0.73
AMU	BETA-N-ACETYLMURAMIC ACID	A,P	1TWQ	0.73
AMU	BETA-N-ACETYLMURAMIC ACID	A	1D0K	0.73
AMU	BETA-N-ACETYLMURAMIC ACID	S	9LYZ	0.73
AMU	BETA-N-ACETYLMURAMIC ACID	E,S	148L	0.73
AMU	BETA-N-ACETYLMURAMIC ACID	D,K	3CYQ	0.73
AMU	BETA-N-ACETYLMURAMIC ACID	U	2AIZ	0.73
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	2GJP	0.72
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1G9H	0.72
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1BG9	0.72
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1PPI	0.72
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1RP9	0.72
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1G94	0.72
DAF	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE	A	1RPK	0.72
H1S	HEPARIN DISACCHARIDE I-S	A,B	1U4L	0.73
H1S	HEPARIN DISACCHARIDE I-S	A	2NWG	0.73
H1S	HEPARIN DISACCHARIDE I-S	A,B	2FUT	0.73
7GP	ETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE	A	2F3S	0.7
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
MUB	N-ACETYLMURAMIC ACID	L,N	1WCO	0.73
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
9AM	9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL- NEURAMINIC ACID	A	1F8D	0.9
HTM	6-(3-HYDROXYPROPOXY)-5-ACETAMIDO- 5,6-DIHYDRO-4-HYDROXY-4H-PYRAN- 2-CARBOXYLIC ACID	A	2F12	0.75
49A	4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO- N-ACETYL-NEURAMINIC ACID	A	1F8E	0.88
DYM	6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO- 5,6-DIHYDRO-4-HYDROXY-4H-PYRAN- 2-CARBOXYLIC ACID	A	2F13	0.76
CNP	2-PROPENYL-N-ACETYL-NEURAMIC ACID	A	4SLI	0.73
FSI	5-(ACETYLAMINO)-2,6-ANHYDRO-3,5- DIDEOXY-3-FLUORONONONIC ACID	A	2AH2	0.71
FSI	5-(ACETYLAMINO)-2,6-ANHYDRO-3,5- DIDEOXY-3-FLUORONONONIC ACID	A	2FHR	0.71
FSI	5-(ACETYLAMINO)-2,6-ANHYDRO-3,5- DIDEOXY-3-FLUORONONONIC ACID	A	2A75	0.71
FSI	5-(ACETYLAMINO)-2,6-ANHYDRO-3,5- DIDEOXY-3-FLUORONONONIC ACID	A,B	2VK7	0.71
BEU	N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY- 4-(HYDROXYMETHYL)CYCLOHEX-3-EN- 1-YL]ACETAMIDE	A,B	2JIW	0.76
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	0.84
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
H3S	HEPARIN DISACCHARIDE III-S	A,B	1U4M	0.74
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	H,J,L	1RV0	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2QWC	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2SIM	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1IVF	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1SLI	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1MS1	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1USR	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B,C,D	2CEX	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1MS0	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1W8N	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1V3D	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	2F27	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	2F29	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1W0O	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1MZ6	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B,C	1WCQ	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1NSD	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2VW1	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1E8V	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	2F25	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1Z50	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2VK6	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1MS8	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	3H73	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1EUS	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1F8B	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2HTW	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1NNB	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1Z4Z	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	2VVZ	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1N1V	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B,C	1USX	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1Z4W	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A,B	1VCU	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1N1T	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	2HTR	0.96
DAN	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	A	1Z4V	0.96
IEM	5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY- 6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID	A	2F11	0.74
AMV	METHYL 2-(ACETYLAMINO)-3-O-[(1R)- 1-CARBOXYETHYL]-2-DEOXY-BETA-D- GLUCOPYRANOSIDE	A	2J8G	0.71
AMV	METHYL 2-(ACETYLAMINO)-3-O-[(1R)- 1-CARBOXYETHYL]-2-DEOXY-BETA-D- GLUCOPYRANOSIDE	A	2J8F	0.71